NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405788 |
1x6g   |
10245 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x6g
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1074
_Distance_constraint_stats_list.Viol_count 1032
_Distance_constraint_stats_list.Viol_total 924.717
_Distance_constraint_stats_list.Viol_max 0.908
_Distance_constraint_stats_list.Viol_rms 0.0229
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0448
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 MET 4.519 0.908 9 4 "[ . - +1* *. 2]"
1 10 PRO 4.519 0.908 9 4 "[ . - +1* *. 2]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 0.622 0.350 20 0 "[ . 1 . 2]"
1 14 TRP 0.191 0.047 20 0 "[ . 1 . 2]"
1 15 ALA 0.004 0.004 3 0 "[ . 1 . 2]"
1 16 PRO 2.662 0.278 20 0 "[ . 1 . 2]"
1 17 GLY 0.034 0.029 20 0 "[ . 1 . 2]"
1 18 THR 0.066 0.008 17 0 "[ . 1 . 2]"
1 19 GLN 0.674 0.187 13 0 "[ . 1 . 2]"
1 20 CYS 6.119 0.629 14 1 "[ . 1 +. 2]"
1 21 ILE 1.631 0.076 17 0 "[ . 1 . 2]"
1 22 THR 0.172 0.030 16 0 "[ . 1 . 2]"
1 23 LYS 2.165 0.451 13 0 "[ . 1 . 2]"
1 24 CYS 3.470 0.451 13 0 "[ . 1 . 2]"
1 25 GLU 1.354 0.294 13 0 "[ . 1 . 2]"
1 26 HIS 1.464 0.250 12 0 "[ . 1 . 2]"
1 27 THR 1.084 0.579 16 1 "[ . 1 .+ 2]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PRO 6.723 0.431 14 0 "[ . 1 . 2]"
1 30 LYS 1.373 0.076 8 0 "[ . 1 . 2]"
1 31 PRO 0.984 0.076 8 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLU 7.151 0.431 14 0 "[ . 1 . 2]"
1 34 LEU 0.544 0.039 10 0 "[ . 1 . 2]"
1 35 ALA 0.027 0.009 9 0 "[ . 1 . 2]"
1 36 PHE 1.471 0.250 12 0 "[ . 1 . 2]"
1 37 ARG 6.886 0.579 16 1 "[ . 1 .+ 2]"
1 38 LYS 2.833 0.253 10 0 "[ . 1 . 2]"
1 39 GLY 0.265 0.040 15 0 "[ . 1 . 2]"
1 40 ASP 0.036 0.008 15 0 "[ . 1 . 2]"
1 41 VAL 0.469 0.047 7 0 "[ . 1 . 2]"
1 42 VAL 0.519 0.047 7 0 "[ . 1 . 2]"
1 43 THR 0.339 0.024 19 0 "[ . 1 . 2]"
1 44 ILE 1.384 0.149 17 0 "[ . 1 . 2]"
1 45 LEU 0.053 0.009 16 0 "[ . 1 . 2]"
1 46 GLU 1.712 0.278 20 0 "[ . 1 . 2]"
1 47 ALA 1.287 0.519 1 1 "[+ . 1 . 2]"
1 48 CYS 1.427 0.519 1 1 "[+ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASN 0.803 0.653 17 1 "[ . 1 . + 2]"
1 51 LYS 0.605 0.216 7 0 "[ . 1 . 2]"
1 52 SER 0.054 0.026 17 0 "[ . 1 . 2]"
1 53 TRP 0.847 0.653 17 1 "[ . 1 . + 2]"
1 54 TYR 0.960 0.350 20 0 "[ . 1 . 2]"
1 55 ARG 0.574 0.066 11 0 "[ . 1 . 2]"
1 56 VAL 0.561 0.066 11 0 "[ . 1 . 2]"
1 57 LYS 0.318 0.021 12 0 "[ . 1 . 2]"
1 58 HIS 0.176 0.033 12 0 "[ . 1 . 2]"
1 59 HIS 0.087 0.022 12 0 "[ . 1 . 2]"
1 60 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.189 0.041 8 0 "[ . 1 . 2]"
1 62 GLY 0.040 0.018 12 0 "[ . 1 . 2]"
1 63 GLN 0.189 0.041 8 0 "[ . 1 . 2]"
1 64 GLU 0.054 0.012 18 0 "[ . 1 . 2]"
1 65 GLY 0.143 0.021 12 0 "[ . 1 . 2]"
1 66 LEU 0.260 0.129 18 0 "[ . 1 . 2]"
1 67 LEU 0.143 0.027 13 0 "[ . 1 . 2]"
1 68 ALA 0.168 0.027 13 0 "[ . 1 . 2]"
1 69 ALA 0.066 0.016 13 0 "[ . 1 . 2]"
1 70 GLY 0.004 0.004 3 0 "[ . 1 . 2]"
1 71 ALA 0.099 0.017 20 0 "[ . 1 . 2]"
1 72 LEU 0.308 0.021 17 0 "[ . 1 . 2]"
1 73 ARG 2.481 0.078 14 0 "[ . 1 . 2]"
1 74 GLU 2.165 0.232 14 0 "[ . 1 . 2]"
1 75 ARG 7.513 0.629 14 1 "[ . 1 +. 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 ARG H 1 8 ARG HG2 . . 5.500 4.196 2.147 5.175 . 0 0 "[ . 1 . 2]" 1
2 1 8 ARG HA 1 8 ARG QD . . 4.440 3.685 2.428 4.152 . 0 0 "[ . 1 . 2]" 1
3 1 8 ARG HA 1 8 ARG HG2 . . 4.220 2.960 2.061 4.107 . 0 0 "[ . 1 . 2]" 1
4 1 8 ARG HB3 1 8 ARG QD . . 3.340 2.671 2.011 3.340 . 0 0 "[ . 1 . 2]" 1
5 1 9 MET HB2 1 10 PRO HD2 . . 3.920 3.640 2.155 4.191 0.271 2 0 "[ . 1 . 2]" 1
6 1 9 MET HB2 1 10 PRO HD3 . . 4.870 3.795 2.018 4.581 . 0 0 "[ . 1 . 2]" 1
7 1 9 MET HB3 1 10 PRO HD2 . . 4.370 2.971 2.205 3.636 . 0 0 "[ . 1 . 2]" 1
8 1 9 MET HB3 1 10 PRO HD3 . . 4.800 3.304 2.057 4.027 . 0 0 "[ . 1 . 2]" 1
9 1 9 MET ME 1 10 PRO HD2 . . 4.660 4.140 2.376 5.568 0.908 9 4 "[ . - +1* *. 2]" 1
10 1 11 THR HA 1 11 THR MG . . 3.440 2.723 2.334 3.244 . 0 0 "[ . 1 . 2]" 1
11 1 11 THR HA 1 12 ARG QB . . 4.860 4.134 3.810 4.694 . 0 0 "[ . 1 . 2]" 1
12 1 12 ARG HA 1 12 ARG QD . . 4.290 3.519 2.400 4.038 . 0 0 "[ . 1 . 2]" 1
13 1 12 ARG HA 1 12 ARG QG . . 3.540 2.138 1.975 2.455 . 0 0 "[ . 1 . 2]" 1
14 1 12 ARG QB 1 12 ARG QD . . 2.890 2.114 1.933 2.334 . 0 0 "[ . 1 . 2]" 1
15 1 13 ARG HA 1 13 ARG QD . . 3.600 2.818 1.947 3.608 0.008 13 0 "[ . 1 . 2]" 1
16 1 13 ARG HA 1 13 ARG QG . . 3.700 2.615 1.999 3.445 . 0 0 "[ . 1 . 2]" 1
17 1 13 ARG HA 1 14 TRP H . . 3.320 2.656 2.384 3.367 0.047 20 0 "[ . 1 . 2]" 1
18 1 13 ARG HB2 1 14 TRP H . . 4.430 3.433 2.807 3.720 . 0 0 "[ . 1 . 2]" 1
19 1 13 ARG HB2 1 54 TYR QE . . 4.560 4.224 3.091 4.562 0.002 5 0 "[ . 1 . 2]" 1
20 1 13 ARG HB3 1 13 ARG QD . . 3.670 2.619 1.995 3.479 . 0 0 "[ . 1 . 2]" 1
21 1 13 ARG HB3 1 14 TRP H . . 4.270 2.418 1.960 4.064 . 0 0 "[ . 1 . 2]" 1
22 1 13 ARG HB3 1 54 TYR QE . . 4.210 3.445 2.954 4.560 0.350 20 0 "[ . 1 . 2]" 1
23 1 13 ARG QD 1 14 TRP H . . 5.430 3.817 2.831 4.913 . 0 0 "[ . 1 . 2]" 1
24 1 13 ARG QD 1 54 TYR QE . . 4.540 3.723 2.945 4.536 . 0 0 "[ . 1 . 2]" 1
25 1 13 ARG QG 1 14 TRP H . . 4.680 4.029 2.906 4.681 0.001 20 0 "[ . 1 . 2]" 1
26 1 14 TRP H 1 14 TRP HB2 . . 3.900 2.398 2.303 2.991 . 0 0 "[ . 1 . 2]" 1
27 1 14 TRP H 1 14 TRP HD1 . . 4.840 4.246 3.845 4.850 0.010 20 0 "[ . 1 . 2]" 1
28 1 14 TRP H 1 14 TRP HE3 . . 5.130 3.542 3.215 4.590 . 0 0 "[ . 1 . 2]" 1
29 1 14 TRP H 1 15 ALA H . . 5.500 4.602 4.316 4.656 . 0 0 "[ . 1 . 2]" 1
30 1 14 TRP H 1 54 TYR QE . . 4.000 3.738 2.918 4.002 0.002 9 0 "[ . 1 . 2]" 1
31 1 14 TRP HB2 1 14 TRP HE3 . . 3.980 2.340 2.331 2.368 . 0 0 "[ . 1 . 2]" 1
32 1 14 TRP HB2 1 15 ALA H . . 4.570 3.963 3.665 4.306 . 0 0 "[ . 1 . 2]" 1
33 1 14 TRP HB2 1 18 THR HB . . 4.480 4.309 4.193 4.463 . 0 0 "[ . 1 . 2]" 1
34 1 14 TRP HB2 1 18 THR MG . . 4.280 4.097 3.781 4.276 . 0 0 "[ . 1 . 2]" 1
35 1 14 TRP HB2 1 44 ILE MD . . 4.050 3.069 2.529 3.692 . 0 0 "[ . 1 . 2]" 1
36 1 14 TRP HB2 1 44 ILE HG12 . . 4.810 4.775 4.653 4.820 0.010 20 0 "[ . 1 . 2]" 1
37 1 14 TRP HB2 1 44 ILE HG13 . . 4.110 3.236 3.066 3.531 . 0 0 "[ . 1 . 2]" 1
38 1 14 TRP HB2 1 44 ILE MG . . 4.140 3.799 3.362 3.997 . 0 0 "[ . 1 . 2]" 1
39 1 14 TRP HB2 1 54 TYR QE . . 4.020 3.774 3.109 4.020 . 0 0 "[ . 1 . 2]" 1
40 1 14 TRP HB3 1 15 ALA H . . 4.130 2.821 2.442 3.304 . 0 0 "[ . 1 . 2]" 1
41 1 14 TRP HB3 1 15 ALA MB . . 4.780 4.578 4.413 4.784 0.004 3 0 "[ . 1 . 2]" 1
42 1 14 TRP HB3 1 18 THR HB . . 3.990 2.701 2.576 2.862 . 0 0 "[ . 1 . 2]" 1
43 1 14 TRP HB3 1 18 THR MG . . 3.780 2.691 2.405 2.904 . 0 0 "[ . 1 . 2]" 1
44 1 14 TRP HB3 1 44 ILE MD . . 4.140 3.550 2.809 4.114 . 0 0 "[ . 1 . 2]" 1
45 1 14 TRP HB3 1 44 ILE HG12 . . 4.390 4.188 3.864 4.359 . 0 0 "[ . 1 . 2]" 1
46 1 14 TRP HB3 1 44 ILE HG13 . . 3.940 2.658 2.247 2.954 . 0 0 "[ . 1 . 2]" 1
47 1 14 TRP HB3 1 44 ILE MG . . 4.170 3.922 3.524 4.175 0.005 6 0 "[ . 1 . 2]" 1
48 1 14 TRP HD1 1 15 ALA H . . 4.750 4.009 3.846 4.238 . 0 0 "[ . 1 . 2]" 1
49 1 14 TRP HD1 1 18 THR MG . . 3.920 2.849 2.257 3.170 . 0 0 "[ . 1 . 2]" 1
50 1 14 TRP HD1 1 74 GLU HG3 . . 4.640 3.905 3.594 4.195 . 0 0 "[ . 1 . 2]" 1
51 1 14 TRP HE1 1 18 THR MG . . 5.110 4.146 3.723 4.479 . 0 0 "[ . 1 . 2]" 1
52 1 14 TRP HE1 1 74 GLU HB2 . . 4.140 2.953 2.672 3.057 . 0 0 "[ . 1 . 2]" 1
53 1 14 TRP HE1 1 74 GLU HB3 . . 4.570 4.496 4.232 4.575 0.005 20 0 "[ . 1 . 2]" 1
54 1 14 TRP HE1 1 74 GLU HG2 . . 4.920 4.211 3.922 4.416 . 0 0 "[ . 1 . 2]" 1
55 1 14 TRP HE1 1 74 GLU HG3 . . 4.270 2.503 2.200 2.711 . 0 0 "[ . 1 . 2]" 1
56 1 14 TRP HE3 1 44 ILE MD . . 3.670 3.102 2.782 3.351 . 0 0 "[ . 1 . 2]" 1
57 1 14 TRP HH2 1 72 LEU H . . 5.190 3.982 3.782 4.254 . 0 0 "[ . 1 . 2]" 1
58 1 14 TRP HH2 1 72 LEU HB2 . . 3.810 3.153 3.048 3.274 . 0 0 "[ . 1 . 2]" 1
59 1 14 TRP HH2 1 72 LEU HB3 . . 4.190 3.639 3.142 3.937 . 0 0 "[ . 1 . 2]" 1
60 1 14 TRP HH2 1 72 LEU MD1 . . 4.600 4.594 4.529 4.610 0.010 13 0 "[ . 1 . 2]" 1
61 1 14 TRP HH2 1 73 ARG H . . 5.410 3.968 3.649 4.293 . 0 0 "[ . 1 . 2]" 1
62 1 14 TRP HH2 1 74 GLU H . . 4.880 4.594 4.407 4.758 . 0 0 "[ . 1 . 2]" 1
63 1 14 TRP HZ2 1 74 GLU H . . 4.170 3.279 3.060 3.652 . 0 0 "[ . 1 . 2]" 1
64 1 14 TRP HZ2 1 74 GLU HA . . 4.920 4.025 3.698 4.218 . 0 0 "[ . 1 . 2]" 1
65 1 14 TRP HZ2 1 74 GLU HB2 . . 4.210 3.007 2.821 3.071 . 0 0 "[ . 1 . 2]" 1
66 1 14 TRP HZ2 1 74 GLU HB3 . . 4.720 4.670 4.470 4.727 0.007 4 0 "[ . 1 . 2]" 1
67 1 14 TRP HZ2 1 74 GLU HG3 . . 4.270 4.221 4.047 4.276 0.006 12 0 "[ . 1 . 2]" 1
68 1 14 TRP HZ3 1 69 ALA HA . . 4.330 3.937 3.333 4.332 0.002 13 0 "[ . 1 . 2]" 1
69 1 14 TRP HZ3 1 69 ALA MB . . 4.890 4.488 3.919 4.830 . 0 0 "[ . 1 . 2]" 1
70 1 14 TRP HZ3 1 72 LEU H . . 5.300 4.119 3.911 4.516 . 0 0 "[ . 1 . 2]" 1
71 1 14 TRP HZ3 1 72 LEU HB2 . . 4.070 2.046 1.998 2.391 . 0 0 "[ . 1 . 2]" 1
72 1 14 TRP HZ3 1 72 LEU HB3 . . 4.330 2.977 2.531 3.388 . 0 0 "[ . 1 . 2]" 1
73 1 14 TRP HZ3 1 72 LEU MD1 . . 3.640 2.783 2.703 2.935 . 0 0 "[ . 1 . 2]" 1
74 1 14 TRP HZ3 1 72 LEU MD2 . . 4.960 4.519 4.234 4.797 . 0 0 "[ . 1 . 2]" 1
75 1 15 ALA H 1 15 ALA MB . . 3.070 2.192 1.991 2.363 . 0 0 "[ . 1 . 2]" 1
76 1 15 ALA H 1 16 PRO HD2 . . 5.340 4.809 4.733 4.849 . 0 0 "[ . 1 . 2]" 1
77 1 15 ALA H 1 18 THR H . . 4.770 4.389 3.932 4.751 . 0 0 "[ . 1 . 2]" 1
78 1 15 ALA H 1 18 THR HB . . 4.960 3.162 2.665 3.595 . 0 0 "[ . 1 . 2]" 1
79 1 15 ALA H 1 18 THR HG1 . . 4.710 3.152 2.343 4.144 . 0 0 "[ . 1 . 2]" 1
80 1 15 ALA H 1 18 THR MG . . 4.500 3.642 3.379 3.897 . 0 0 "[ . 1 . 2]" 1
81 1 15 ALA MB 1 16 PRO HA . . 4.780 4.228 4.192 4.262 . 0 0 "[ . 1 . 2]" 1
82 1 15 ALA MB 1 16 PRO HD2 . . 3.180 1.998 1.895 2.095 . 0 0 "[ . 1 . 2]" 1
83 1 15 ALA MB 1 16 PRO HD3 . . 3.290 2.622 2.488 2.755 . 0 0 "[ . 1 . 2]" 1
84 1 15 ALA MB 1 16 PRO HG2 . . 4.130 3.910 3.803 3.986 . 0 0 "[ . 1 . 2]" 1
85 1 15 ALA MB 1 18 THR H . . 4.620 4.235 4.059 4.428 . 0 0 "[ . 1 . 2]" 1
86 1 15 ALA MB 1 18 THR HG1 . . 4.870 3.410 2.892 4.393 . 0 0 "[ . 1 . 2]" 1
87 1 16 PRO HA 1 17 GLY H . . 2.950 2.153 2.149 2.167 . 0 0 "[ . 1 . 2]" 1
88 1 16 PRO HA 1 44 ILE H . . 5.060 4.251 4.077 4.571 . 0 0 "[ . 1 . 2]" 1
89 1 16 PRO HA 1 44 ILE HB . . 3.560 2.285 2.025 2.512 . 0 0 "[ . 1 . 2]" 1
90 1 16 PRO HA 1 44 ILE MD . . 4.520 4.530 4.520 4.547 0.027 15 0 "[ . 1 . 2]" 1
91 1 16 PRO HA 1 44 ILE MG . . 3.190 1.955 1.893 2.016 . 0 0 "[ . 1 . 2]" 1
92 1 16 PRO HB2 1 17 GLY H . . 4.370 3.869 3.712 4.015 . 0 0 "[ . 1 . 2]" 1
93 1 16 PRO HB2 1 44 ILE MG . . 3.990 4.040 3.960 4.139 0.149 17 0 "[ . 1 . 2]" 1
94 1 16 PRO HB2 1 46 GLU HA . . 4.260 4.201 3.828 4.538 0.278 20 0 "[ . 1 . 2]" 1
95 1 16 PRO HB3 1 17 GLY H . . 4.220 4.133 4.013 4.249 0.029 20 0 "[ . 1 . 2]" 1
96 1 16 PRO HB3 1 44 ILE MG . . 4.180 2.981 2.808 3.110 . 0 0 "[ . 1 . 2]" 1
97 1 16 PRO HB3 1 46 GLU HA . . 4.560 2.715 2.352 2.996 . 0 0 "[ . 1 . 2]" 1
98 1 16 PRO HD3 1 47 ALA H . . 5.500 4.677 3.662 5.505 0.005 4 0 "[ . 1 . 2]" 1
99 1 16 PRO HG3 1 44 ILE MG . . 4.540 4.256 4.160 4.383 . 0 0 "[ . 1 . 2]" 1
100 1 16 PRO HG3 1 46 GLU HA . . 4.200 3.817 3.527 4.190 . 0 0 "[ . 1 . 2]" 1
101 1 16 PRO HG3 1 47 ALA H . . 5.180 3.988 3.035 4.718 . 0 0 "[ . 1 . 2]" 1
102 1 16 PRO HG3 1 47 ALA MB . . 4.850 3.953 2.924 4.722 . 0 0 "[ . 1 . 2]" 1
103 1 17 GLY H 1 18 THR H . . 3.570 2.100 1.968 2.321 . 0 0 "[ . 1 . 2]" 1
104 1 17 GLY H 1 18 THR HB . . 5.350 4.104 3.964 4.392 . 0 0 "[ . 1 . 2]" 1
105 1 17 GLY H 1 43 THR MG . . 3.730 2.983 2.674 3.299 . 0 0 "[ . 1 . 2]" 1
106 1 17 GLY H 1 44 ILE H . . 4.850 2.775 2.596 3.032 . 0 0 "[ . 1 . 2]" 1
107 1 17 GLY H 1 44 ILE HA . . 5.210 4.121 3.913 4.270 . 0 0 "[ . 1 . 2]" 1
108 1 17 GLY H 1 44 ILE HB . . 3.890 1.985 1.941 2.234 . 0 0 "[ . 1 . 2]" 1
109 1 17 GLY H 1 44 ILE HG12 . . 5.230 4.027 3.721 4.215 . 0 0 "[ . 1 . 2]" 1
110 1 17 GLY H 1 44 ILE HG13 . . 5.490 4.207 3.977 4.444 . 0 0 "[ . 1 . 2]" 1
111 1 17 GLY H 1 44 ILE MG . . 4.110 3.220 2.969 3.389 . 0 0 "[ . 1 . 2]" 1
112 1 17 GLY HA2 1 43 THR MG . . 3.340 2.103 1.938 2.339 . 0 0 "[ . 1 . 2]" 1
113 1 17 GLY HA3 1 43 THR MG . . 3.720 3.517 3.304 3.724 0.004 3 0 "[ . 1 . 2]" 1
114 1 18 THR H 1 18 THR HB . . 3.430 2.244 2.173 2.322 . 0 0 "[ . 1 . 2]" 1
115 1 18 THR H 1 18 THR HG1 . . 4.000 3.081 2.403 3.736 . 0 0 "[ . 1 . 2]" 1
116 1 18 THR H 1 18 THR MG . . 4.000 3.678 3.643 3.703 . 0 0 "[ . 1 . 2]" 1
117 1 18 THR H 1 19 GLN H . . 4.930 4.613 4.571 4.645 . 0 0 "[ . 1 . 2]" 1
118 1 18 THR H 1 43 THR MG . . 4.370 3.848 3.654 4.259 . 0 0 "[ . 1 . 2]" 1
119 1 18 THR H 1 44 ILE H . . 4.620 3.154 2.740 3.493 . 0 0 "[ . 1 . 2]" 1
120 1 18 THR H 1 44 ILE HA . . 5.210 5.118 4.737 5.218 0.008 17 0 "[ . 1 . 2]" 1
121 1 18 THR H 1 44 ILE HB . . 3.730 2.359 2.055 2.560 . 0 0 "[ . 1 . 2]" 1
122 1 18 THR H 1 44 ILE MD . . 5.220 4.757 4.555 4.901 . 0 0 "[ . 1 . 2]" 1
123 1 18 THR H 1 44 ILE HG12 . . 4.470 3.685 3.256 3.938 . 0 0 "[ . 1 . 2]" 1
124 1 18 THR H 1 44 ILE HG13 . . 4.820 3.510 3.175 3.692 . 0 0 "[ . 1 . 2]" 1
125 1 18 THR H 1 44 ILE MG . . 4.420 3.777 3.546 4.039 . 0 0 "[ . 1 . 2]" 1
126 1 18 THR HA 1 18 THR MG . . 3.120 2.507 2.392 2.580 . 0 0 "[ . 1 . 2]" 1
127 1 18 THR HA 1 19 GLN H . . 2.870 2.243 2.193 2.346 . 0 0 "[ . 1 . 2]" 1
128 1 18 THR HA 1 19 GLN HG3 . . 4.830 3.864 3.724 4.090 . 0 0 "[ . 1 . 2]" 1
129 1 18 THR HB 1 19 GLN H . . 4.420 4.214 4.010 4.308 . 0 0 "[ . 1 . 2]" 1
130 1 18 THR HB 1 44 ILE H . . 4.460 4.130 3.924 4.303 . 0 0 "[ . 1 . 2]" 1
131 1 18 THR HB 1 44 ILE HB . . 3.790 3.249 3.035 3.599 . 0 0 "[ . 1 . 2]" 1
132 1 18 THR HB 1 44 ILE MD . . 4.540 4.261 3.901 4.453 . 0 0 "[ . 1 . 2]" 1
133 1 18 THR HB 1 44 ILE HG12 . . 3.730 3.440 3.084 3.736 0.006 12 0 "[ . 1 . 2]" 1
134 1 18 THR HB 1 44 ILE HG13 . . 3.980 2.648 2.273 2.884 . 0 0 "[ . 1 . 2]" 1
135 1 18 THR MG 1 19 GLN H . . 3.280 2.243 2.035 2.476 . 0 0 "[ . 1 . 2]" 1
136 1 18 THR MG 1 19 GLN HA . . 4.480 3.884 3.718 4.060 . 0 0 "[ . 1 . 2]" 1
137 1 18 THR MG 1 19 GLN HB2 . . 4.180 3.962 3.777 4.049 . 0 0 "[ . 1 . 2]" 1
138 1 18 THR MG 1 19 GLN HG3 . . 4.840 4.654 4.473 4.825 . 0 0 "[ . 1 . 2]" 1
139 1 18 THR MG 1 20 CYS H . . 5.410 4.400 4.030 4.886 . 0 0 "[ . 1 . 2]" 1
140 1 18 THR MG 1 44 ILE MD . . 4.520 4.395 4.092 4.519 . 0 0 "[ . 1 . 2]" 1
141 1 18 THR MG 1 74 GLU HA . . 4.840 4.443 4.385 4.625 . 0 0 "[ . 1 . 2]" 1
142 1 18 THR MG 1 74 GLU HG3 . . 3.730 3.717 3.644 3.737 0.007 5 0 "[ . 1 . 2]" 1
143 1 18 THR MG 1 75 ARG H . . 5.340 4.904 4.616 5.173 . 0 0 "[ . 1 . 2]" 1
144 1 19 GLN H 1 19 GLN HB2 . . 3.500 2.337 2.288 2.367 . 0 0 "[ . 1 . 2]" 1
145 1 19 GLN H 1 19 GLN HB3 . . 3.560 3.566 3.536 3.585 0.025 4 0 "[ . 1 . 2]" 1
146 1 19 GLN H 1 19 GLN HG2 . . 4.030 3.776 3.565 3.948 . 0 0 "[ . 1 . 2]" 1
147 1 19 GLN H 1 19 GLN HG3 . . 3.750 2.736 2.576 2.996 . 0 0 "[ . 1 . 2]" 1
148 1 19 GLN HA 1 19 GLN HG2 . . 3.710 2.385 2.199 2.552 . 0 0 "[ . 1 . 2]" 1
149 1 19 GLN HA 1 19 GLN HG3 . . 3.920 2.947 2.759 3.248 . 0 0 "[ . 1 . 2]" 1
150 1 19 GLN HA 1 20 CYS H . . 3.040 2.220 2.202 2.403 . 0 0 "[ . 1 . 2]" 1
151 1 19 GLN HA 1 20 CYS QB . . 4.670 4.437 4.324 4.503 . 0 0 "[ . 1 . 2]" 1
152 1 19 GLN HA 1 41 VAL MG1 . . 4.600 3.716 3.424 4.039 . 0 0 "[ . 1 . 2]" 1
153 1 19 GLN HA 1 43 THR HA . . 3.610 2.810 2.653 2.938 . 0 0 "[ . 1 . 2]" 1
154 1 19 GLN HA 1 43 THR MG . . 4.330 4.315 4.147 4.346 0.016 12 0 "[ . 1 . 2]" 1
155 1 19 GLN HA 1 44 ILE H . . 4.420 3.907 3.664 4.127 . 0 0 "[ . 1 . 2]" 1
156 1 19 GLN HB2 1 20 CYS H . . 4.510 4.402 3.953 4.516 0.006 13 0 "[ . 1 . 2]" 1
157 1 19 GLN HB2 1 41 VAL MG1 . . 4.150 3.889 3.470 4.154 0.004 16 0 "[ . 1 . 2]" 1
158 1 19 GLN HB2 1 75 ARG HB3 . . 4.950 3.859 2.709 4.303 . 0 0 "[ . 1 . 2]" 1
159 1 19 GLN HB2 1 75 ARG HD2 . . 4.400 4.333 3.939 4.409 0.009 20 0 "[ . 1 . 2]" 1
160 1 19 GLN HB2 1 75 ARG HD3 . . 4.180 3.943 3.141 4.165 . 0 0 "[ . 1 . 2]" 1
161 1 19 GLN HB3 1 41 VAL HA . . 4.690 4.243 3.917 4.573 . 0 0 "[ . 1 . 2]" 1
162 1 19 GLN HB3 1 41 VAL MG1 . . 3.540 2.547 2.167 2.859 . 0 0 "[ . 1 . 2]" 1
163 1 19 GLN HE21 1 41 VAL MG1 . . 4.530 2.885 1.999 3.818 . 0 0 "[ . 1 . 2]" 1
164 1 19 GLN HE22 1 19 GLN HG2 . . 3.970 3.529 3.448 4.157 0.187 13 0 "[ . 1 . 2]" 1
165 1 19 GLN HE22 1 19 GLN HG3 . . 3.930 3.829 3.633 4.070 0.140 2 0 "[ . 1 . 2]" 1
166 1 19 GLN HE22 1 41 VAL MG1 . . 3.840 2.998 2.374 3.384 . 0 0 "[ . 1 . 2]" 1
167 1 19 GLN HG2 1 41 VAL MG1 . . 4.300 2.868 2.488 3.232 . 0 0 "[ . 1 . 2]" 1
168 1 19 GLN HG2 1 42 VAL H . . 5.460 4.311 3.980 4.648 . 0 0 "[ . 1 . 2]" 1
169 1 19 GLN HG2 1 43 THR HA . . 4.650 3.523 3.151 3.887 . 0 0 "[ . 1 . 2]" 1
170 1 19 GLN HG2 1 43 THR MG . . 4.550 4.138 3.798 4.389 . 0 0 "[ . 1 . 2]" 1
171 1 19 GLN HG3 1 41 VAL MG1 . . 4.540 4.051 3.748 4.283 . 0 0 "[ . 1 . 2]" 1
172 1 19 GLN HG3 1 43 THR MG . . 4.490 4.252 3.918 4.459 . 0 0 "[ . 1 . 2]" 1
173 1 20 CYS H 1 20 CYS QB . . 3.470 2.610 2.396 3.158 . 0 0 "[ . 1 . 2]" 1
174 1 20 CYS H 1 21 ILE MD . . 4.970 3.631 3.291 4.999 0.029 16 0 "[ . 1 . 2]" 1
175 1 20 CYS H 1 41 VAL HA . . 5.030 4.381 3.839 4.616 . 0 0 "[ . 1 . 2]" 1
176 1 20 CYS H 1 41 VAL MG1 . . 4.290 4.058 3.539 4.294 0.004 12 0 "[ . 1 . 2]" 1
177 1 20 CYS H 1 42 VAL MG2 . . 3.490 2.561 2.086 2.670 . 0 0 "[ . 1 . 2]" 1
178 1 20 CYS H 1 43 THR HA . . 4.310 3.896 3.790 4.322 0.012 16 0 "[ . 1 . 2]" 1
179 1 20 CYS HA 1 21 ILE H . . 3.420 2.404 2.345 2.481 . 0 0 "[ . 1 . 2]" 1
180 1 20 CYS HA 1 74 GLU HA . . 3.470 3.154 2.990 3.255 . 0 0 "[ . 1 . 2]" 1
181 1 20 CYS HA 1 75 ARG H . . 3.730 2.976 2.853 3.082 . 0 0 "[ . 1 . 2]" 1
182 1 20 CYS HA 1 75 ARG HB3 . . 4.660 4.959 4.580 5.289 0.629 14 1 "[ . 1 +. 2]" 1
183 1 20 CYS QB 1 21 ILE H . . 3.400 2.680 2.493 2.830 . 0 0 "[ . 1 . 2]" 1
184 1 20 CYS QB 1 42 VAL MG2 . . 3.760 2.636 2.312 3.532 . 0 0 "[ . 1 . 2]" 1
185 1 20 CYS QB 1 72 LEU HB2 . . 4.360 3.689 3.576 3.895 . 0 0 "[ . 1 . 2]" 1
186 1 20 CYS QB 1 72 LEU HB3 . . 3.740 2.152 2.079 2.313 . 0 0 "[ . 1 . 2]" 1
187 1 20 CYS QB 1 72 LEU MD1 . . 3.770 3.262 3.016 3.360 . 0 0 "[ . 1 . 2]" 1
188 1 20 CYS QB 1 72 LEU MD2 . . 3.140 2.342 1.931 2.548 . 0 0 "[ . 1 . 2]" 1
189 1 20 CYS QB 1 72 LEU HG . . 4.910 4.550 4.403 4.630 . 0 0 "[ . 1 . 2]" 1
190 1 20 CYS QB 1 73 ARG H . . 4.240 2.908 2.566 3.144 . 0 0 "[ . 1 . 2]" 1
191 1 20 CYS QB 1 74 GLU HA . . 4.910 4.463 3.990 4.627 . 0 0 "[ . 1 . 2]" 1
192 1 20 CYS QB 1 75 ARG H . . 5.180 4.847 4.548 4.913 . 0 0 "[ . 1 . 2]" 1
193 1 21 ILE H 1 21 ILE HB . . 3.510 2.724 2.675 2.828 . 0 0 "[ . 1 . 2]" 1
194 1 21 ILE H 1 21 ILE MD . . 4.100 3.179 3.042 3.820 . 0 0 "[ . 1 . 2]" 1
195 1 21 ILE H 1 21 ILE HG12 . . 4.080 2.617 2.482 4.122 0.042 16 0 "[ . 1 . 2]" 1
196 1 21 ILE H 1 21 ILE HG13 . . 4.110 3.942 2.830 4.083 . 0 0 "[ . 1 . 2]" 1
197 1 21 ILE H 1 72 LEU MD2 . . 4.550 3.943 3.520 4.228 . 0 0 "[ . 1 . 2]" 1
198 1 21 ILE H 1 73 ARG H . . 3.940 2.266 2.039 2.421 . 0 0 "[ . 1 . 2]" 1
199 1 21 ILE H 1 73 ARG HB3 . . 5.390 4.844 4.463 4.970 . 0 0 "[ . 1 . 2]" 1
200 1 21 ILE H 1 73 ARG HG2 . . 4.700 4.088 3.466 4.276 . 0 0 "[ . 1 . 2]" 1
201 1 21 ILE H 1 74 GLU HA . . 4.530 3.860 3.726 4.159 . 0 0 "[ . 1 . 2]" 1
202 1 21 ILE H 1 75 ARG HA . . 4.880 4.480 4.303 4.711 . 0 0 "[ . 1 . 2]" 1
203 1 21 ILE HA 1 21 ILE MD . . 4.080 2.056 1.949 3.906 . 0 0 "[ . 1 . 2]" 1
204 1 21 ILE HA 1 21 ILE MG . . 3.380 2.332 2.301 2.356 . 0 0 "[ . 1 . 2]" 1
205 1 21 ILE HA 1 22 THR H . . 3.100 2.333 2.262 2.387 . 0 0 "[ . 1 . 2]" 1
206 1 21 ILE HA 1 22 THR MG . . 4.100 3.399 3.154 3.605 . 0 0 "[ . 1 . 2]" 1
207 1 21 ILE HA 1 41 VAL HA . . 3.610 3.323 3.245 3.425 . 0 0 "[ . 1 . 2]" 1
208 1 21 ILE HA 1 41 VAL MG2 . . 4.110 4.067 3.933 4.132 0.022 6 0 "[ . 1 . 2]" 1
209 1 21 ILE HA 1 42 VAL MG2 . . 4.370 3.710 3.450 3.887 . 0 0 "[ . 1 . 2]" 1
210 1 21 ILE HA 1 72 LEU MD2 . . 4.700 4.180 3.967 4.360 . 0 0 "[ . 1 . 2]" 1
211 1 21 ILE HB 1 22 THR H . . 4.210 3.760 3.609 3.958 . 0 0 "[ . 1 . 2]" 1
212 1 21 ILE HB 1 39 GLY HA2 . . 4.590 4.293 4.171 4.356 . 0 0 "[ . 1 . 2]" 1
213 1 21 ILE HB 1 40 ASP H . . 5.350 5.341 5.283 5.358 0.008 15 0 "[ . 1 . 2]" 1
214 1 21 ILE HB 1 73 ARG H . . 4.810 3.761 3.641 3.966 . 0 0 "[ . 1 . 2]" 1
215 1 21 ILE HB 1 73 ARG HD2 . . 4.060 2.248 2.170 2.530 . 0 0 "[ . 1 . 2]" 1
216 1 21 ILE HB 1 73 ARG HD3 . . 4.010 3.483 3.467 3.607 . 0 0 "[ . 1 . 2]" 1
217 1 21 ILE HB 1 73 ARG HG3 . . 3.700 1.988 1.968 1.996 . 0 0 "[ . 1 . 2]" 1
218 1 21 ILE MD 1 39 GLY HA2 . . 4.320 4.329 4.301 4.360 0.040 15 0 "[ . 1 . 2]" 1
219 1 21 ILE MD 1 41 VAL HA . . 4.210 2.280 2.101 4.170 . 0 0 "[ . 1 . 2]" 1
220 1 21 ILE MD 1 74 GLU HA . . 4.890 4.905 4.891 4.936 0.046 17 0 "[ . 1 . 2]" 1
221 1 21 ILE MD 1 75 ARG H . . 4.950 3.357 3.297 3.492 . 0 0 "[ . 1 . 2]" 1
222 1 21 ILE MD 1 75 ARG HA . . 3.720 3.252 1.788 3.416 . 0 0 "[ . 1 . 2]" 1
223 1 21 ILE MD 1 75 ARG HB2 . . 4.670 2.033 1.956 2.386 . 0 0 "[ . 1 . 2]" 1
224 1 21 ILE MD 1 75 ARG HB3 . . 4.210 3.397 3.324 3.742 . 0 0 "[ . 1 . 2]" 1
225 1 21 ILE MD 1 75 ARG HD2 . . 4.450 2.159 1.975 2.759 . 0 0 "[ . 1 . 2]" 1
226 1 21 ILE MD 1 75 ARG HD3 . . 4.580 3.492 3.340 3.902 . 0 0 "[ . 1 . 2]" 1
227 1 21 ILE MD 1 75 ARG HG2 . . 4.120 3.668 3.367 3.861 . 0 0 "[ . 1 . 2]" 1
228 1 21 ILE HG12 1 75 ARG HA . . 4.480 2.304 2.091 4.261 . 0 0 "[ . 1 . 2]" 1
229 1 21 ILE HG12 1 75 ARG HB2 . . 4.410 2.214 2.007 3.575 . 0 0 "[ . 1 . 2]" 1
230 1 21 ILE HG13 1 75 ARG HA . . 4.560 2.059 1.982 3.264 . 0 0 "[ . 1 . 2]" 1
231 1 21 ILE HG13 1 75 ARG HB2 . . 4.700 2.586 2.384 3.045 . 0 0 "[ . 1 . 2]" 1
232 1 21 ILE MG 1 22 THR H . . 3.430 2.010 1.915 2.147 . 0 0 "[ . 1 . 2]" 1
233 1 21 ILE MG 1 23 LYS H . . 5.320 5.084 4.908 5.213 . 0 0 "[ . 1 . 2]" 1
234 1 21 ILE MG 1 39 GLY H . . 4.200 2.976 2.871 3.152 . 0 0 "[ . 1 . 2]" 1
235 1 21 ILE MG 1 39 GLY HA2 . . 3.610 1.866 1.820 1.914 . 0 0 "[ . 1 . 2]" 1
236 1 21 ILE MG 1 39 GLY HA3 . . 3.270 3.188 3.129 3.228 . 0 0 "[ . 1 . 2]" 1
237 1 21 ILE MG 1 40 ASP H . . 4.540 2.719 2.534 2.800 . 0 0 "[ . 1 . 2]" 1
238 1 21 ILE MG 1 41 VAL HA . . 3.820 3.827 3.794 3.841 0.021 15 0 "[ . 1 . 2]" 1
239 1 21 ILE MG 1 73 ARG HD2 . . 4.550 3.650 3.576 3.869 . 0 0 "[ . 1 . 2]" 1
240 1 21 ILE MG 1 73 ARG HD3 . . 4.410 4.443 4.424 4.486 0.076 17 0 "[ . 1 . 2]" 1
241 1 21 ILE MG 1 73 ARG HG3 . . 3.560 3.513 3.443 3.605 0.045 17 0 "[ . 1 . 2]" 1
242 1 22 THR H 1 22 THR HB . . 4.000 3.518 3.473 3.552 . 0 0 "[ . 1 . 2]" 1
243 1 22 THR H 1 22 THR HG1 . . 4.450 3.062 2.692 3.374 . 0 0 "[ . 1 . 2]" 1
244 1 22 THR H 1 22 THR MG . . 3.240 2.330 1.977 2.520 . 0 0 "[ . 1 . 2]" 1
245 1 22 THR H 1 23 LYS H . . 5.000 4.591 4.501 4.636 . 0 0 "[ . 1 . 2]" 1
246 1 22 THR H 1 39 GLY H . . 4.680 3.150 2.813 3.664 . 0 0 "[ . 1 . 2]" 1
247 1 22 THR H 1 39 GLY HA2 . . 5.250 3.357 3.163 3.518 . 0 0 "[ . 1 . 2]" 1
248 1 22 THR H 1 39 GLY HA3 . . 4.980 4.876 4.699 5.010 0.030 16 0 "[ . 1 . 2]" 1
249 1 22 THR H 1 40 ASP H . . 4.180 2.254 2.160 2.403 . 0 0 "[ . 1 . 2]" 1
250 1 22 THR H 1 40 ASP QB . . 4.950 3.538 3.373 3.857 . 0 0 "[ . 1 . 2]" 1
251 1 22 THR H 1 72 LEU MD2 . . 4.610 4.246 3.891 4.428 . 0 0 "[ . 1 . 2]" 1
252 1 22 THR HB 1 23 LYS H . . 3.920 3.187 2.855 3.655 . 0 0 "[ . 1 . 2]" 1
253 1 22 THR HB 1 24 CYS H . . 3.590 2.786 2.450 3.029 . 0 0 "[ . 1 . 2]" 1
254 1 22 THR HB 1 36 PHE QD . . 4.440 3.052 2.743 3.464 . 0 0 "[ . 1 . 2]" 1
255 1 22 THR HB 1 36 PHE QE . . 4.130 2.543 2.045 3.258 . 0 0 "[ . 1 . 2]" 1
256 1 22 THR HB 1 38 LYS HA . . 4.060 3.439 3.139 4.012 . 0 0 "[ . 1 . 2]" 1
257 1 22 THR HB 1 39 GLY H . . 4.560 3.787 3.416 4.441 . 0 0 "[ . 1 . 2]" 1
258 1 22 THR HB 1 72 LEU MD2 . . 4.340 4.313 3.945 4.361 0.021 17 0 "[ . 1 . 2]" 1
259 1 22 THR HG1 1 22 THR MG . . 3.490 2.588 2.202 3.019 . 0 0 "[ . 1 . 2]" 1
260 1 22 THR HG1 1 24 CYS H . . 4.650 4.168 3.110 4.652 0.002 2 0 "[ . 1 . 2]" 1
261 1 22 THR HG1 1 36 PHE QD . . 4.490 3.164 2.606 3.901 . 0 0 "[ . 1 . 2]" 1
262 1 22 THR HG1 1 37 ARG H . . 5.420 4.634 3.910 5.381 . 0 0 "[ . 1 . 2]" 1
263 1 22 THR HG1 1 38 LYS H . . 5.350 4.290 4.055 4.601 . 0 0 "[ . 1 . 2]" 1
264 1 22 THR HG1 1 38 LYS HA . . 3.630 2.083 1.998 2.407 . 0 0 "[ . 1 . 2]" 1
265 1 22 THR HG1 1 39 GLY H . . 3.900 2.106 1.948 2.283 . 0 0 "[ . 1 . 2]" 1
266 1 22 THR HG1 1 40 ASP H . . 3.560 2.477 2.178 3.092 . 0 0 "[ . 1 . 2]" 1
267 1 22 THR HG1 1 40 ASP QB . . 4.320 3.026 2.618 3.834 . 0 0 "[ . 1 . 2]" 1
268 1 22 THR MG 1 23 LYS H . . 4.340 4.002 3.716 4.309 . 0 0 "[ . 1 . 2]" 1
269 1 22 THR MG 1 24 CYS H . . 4.640 4.326 4.045 4.558 . 0 0 "[ . 1 . 2]" 1
270 1 22 THR MG 1 36 PHE H . . 5.450 5.427 5.298 5.455 0.005 7 0 "[ . 1 . 2]" 1
271 1 22 THR MG 1 36 PHE HB2 . . 3.790 2.798 2.550 3.111 . 0 0 "[ . 1 . 2]" 1
272 1 22 THR MG 1 36 PHE HB3 . . 3.990 3.784 3.628 3.986 . 0 0 "[ . 1 . 2]" 1
273 1 22 THR MG 1 36 PHE QD . . 3.630 2.392 1.993 2.736 . 0 0 "[ . 1 . 2]" 1
274 1 22 THR MG 1 37 ARG H . . 4.700 4.217 3.951 4.653 . 0 0 "[ . 1 . 2]" 1
275 1 22 THR MG 1 38 LYS HA . . 4.830 4.211 4.019 4.394 . 0 0 "[ . 1 . 2]" 1
276 1 22 THR MG 1 39 GLY H . . 4.870 4.003 3.547 4.520 . 0 0 "[ . 1 . 2]" 1
277 1 22 THR MG 1 39 GLY HA2 . . 5.140 4.930 4.676 5.116 . 0 0 "[ . 1 . 2]" 1
278 1 22 THR MG 1 40 ASP H . . 3.830 2.972 2.544 3.172 . 0 0 "[ . 1 . 2]" 1
279 1 22 THR MG 1 40 ASP QB . . 3.760 2.256 1.949 2.759 . 0 0 "[ . 1 . 2]" 1
280 1 22 THR MG 1 73 ARG H . . 5.190 5.038 4.779 5.172 . 0 0 "[ . 1 . 2]" 1
281 1 23 LYS H 1 23 LYS QB . . 3.730 2.255 2.086 2.450 . 0 0 "[ . 1 . 2]" 1
282 1 23 LYS H 1 23 LYS QE . . 4.950 4.315 3.595 4.936 . 0 0 "[ . 1 . 2]" 1
283 1 23 LYS H 1 23 LYS QG . . 3.580 2.793 2.329 3.236 . 0 0 "[ . 1 . 2]" 1
284 1 23 LYS H 1 24 CYS H . . 3.480 2.321 2.089 2.555 . 0 0 "[ . 1 . 2]" 1
285 1 23 LYS H 1 71 ALA MB . . 4.510 3.559 3.215 3.790 . 0 0 "[ . 1 . 2]" 1
286 1 23 LYS H 1 72 LEU MD2 . . 4.560 4.364 4.053 4.566 0.006 16 0 "[ . 1 . 2]" 1
287 1 23 LYS H 1 73 ARG H . . 5.400 4.948 4.486 5.401 0.001 16 0 "[ . 1 . 2]" 1
288 1 23 LYS HA 1 23 LYS QD . . 4.740 3.834 3.158 4.090 . 0 0 "[ . 1 . 2]" 1
289 1 23 LYS HA 1 23 LYS QE . . 4.580 4.449 4.165 4.584 0.004 4 0 "[ . 1 . 2]" 1
290 1 23 LYS HA 1 23 LYS QG . . 3.360 2.222 2.068 2.420 . 0 0 "[ . 1 . 2]" 1
291 1 23 LYS HA 1 38 LYS HG3 . . 4.180 4.102 3.809 4.181 0.001 14 0 "[ . 1 . 2]" 1
292 1 23 LYS QB 1 23 LYS QE . . 3.610 2.542 2.071 3.324 . 0 0 "[ . 1 . 2]" 1
293 1 23 LYS QB 1 24 CYS H . . 4.250 3.094 2.922 3.356 . 0 0 "[ . 1 . 2]" 1
294 1 23 LYS QB 1 24 CYS HB2 . . 4.860 4.397 3.973 5.311 0.451 13 0 "[ . 1 . 2]" 1
295 1 23 LYS QB 1 71 ALA HA . . 4.230 2.781 2.335 3.613 . 0 0 "[ . 1 . 2]" 1
296 1 23 LYS QD 1 71 ALA HA . . 4.860 3.421 2.211 4.869 0.009 16 0 "[ . 1 . 2]" 1
297 1 23 LYS QE 1 23 LYS QG . . 3.360 2.165 1.948 2.419 . 0 0 "[ . 1 . 2]" 1
298 1 23 LYS QE 1 72 LEU H . . 4.650 3.712 2.307 4.641 . 0 0 "[ . 1 . 2]" 1
299 1 23 LYS QG 1 24 CYS H . . 4.560 4.418 4.248 4.562 0.002 14 0 "[ . 1 . 2]" 1
300 1 23 LYS QG 1 71 ALA HA . . 4.450 3.995 3.104 4.457 0.007 15 0 "[ . 1 . 2]" 1
301 1 23 LYS QG 1 72 LEU H . . 5.500 4.275 3.343 4.922 . 0 0 "[ . 1 . 2]" 1
302 1 23 LYS QG 1 73 ARG H . . 4.490 3.976 3.688 4.215 . 0 0 "[ . 1 . 2]" 1
303 1 23 LYS QG 1 73 ARG HB2 . . 4.120 3.763 3.383 3.995 . 0 0 "[ . 1 . 2]" 1
304 1 23 LYS QG 1 73 ARG HB3 . . 4.240 2.376 2.021 2.548 . 0 0 "[ . 1 . 2]" 1
305 1 24 CYS H 1 25 GLU H . . 4.930 4.375 4.332 4.403 . 0 0 "[ . 1 . 2]" 1
306 1 24 CYS H 1 36 PHE QE . . 4.220 3.644 3.288 4.149 . 0 0 "[ . 1 . 2]" 1
307 1 24 CYS H 1 38 LYS HA . . 4.160 4.053 3.887 4.167 0.007 12 0 "[ . 1 . 2]" 1
308 1 24 CYS H 1 38 LYS HG2 . . 5.250 5.053 4.824 5.251 0.001 7 0 "[ . 1 . 2]" 1
309 1 24 CYS H 1 38 LYS HG3 . . 4.770 3.836 3.639 4.040 . 0 0 "[ . 1 . 2]" 1
310 1 24 CYS H 1 39 GLY H . . 5.030 4.789 4.487 4.994 . 0 0 "[ . 1 . 2]" 1
311 1 24 CYS H 1 71 ALA MB . . 4.700 3.904 3.601 4.305 . 0 0 "[ . 1 . 2]" 1
312 1 24 CYS HB2 1 25 GLU H . . 3.560 3.146 2.044 3.559 . 0 0 "[ . 1 . 2]" 1
313 1 24 CYS HB3 1 25 GLU H . . 3.280 2.505 2.003 3.574 0.294 13 0 "[ . 1 . 2]" 1
314 1 25 GLU H 1 25 GLU QB . . 3.730 2.759 2.615 2.897 . 0 0 "[ . 1 . 2]" 1
315 1 25 GLU H 1 25 GLU HG2 . . 3.830 2.138 1.950 2.300 . 0 0 "[ . 1 . 2]" 1
316 1 25 GLU H 1 25 GLU HG3 . . 3.890 3.665 3.541 3.813 . 0 0 "[ . 1 . 2]" 1
317 1 25 GLU H 1 38 LYS H . . 5.100 4.611 4.392 4.901 . 0 0 "[ . 1 . 2]" 1
318 1 25 GLU H 1 38 LYS HB2 . . 4.950 3.034 2.594 3.822 . 0 0 "[ . 1 . 2]" 1
319 1 25 GLU H 1 38 LYS QD . . 4.910 4.742 4.425 4.911 0.001 6 0 "[ . 1 . 2]" 1
320 1 25 GLU HA 1 25 GLU HG2 . . 4.040 3.568 3.552 3.660 . 0 0 "[ . 1 . 2]" 1
321 1 25 GLU HA 1 26 HIS H . . 3.070 2.294 2.242 2.338 . 0 0 "[ . 1 . 2]" 1
322 1 25 GLU QB 1 26 HIS H . . 3.530 2.967 2.840 3.168 . 0 0 "[ . 1 . 2]" 1
323 1 25 GLU QB 1 27 THR MG . . 3.610 3.325 3.157 3.500 . 0 0 "[ . 1 . 2]" 1
324 1 25 GLU QB 1 37 ARG QD . . 4.870 2.249 1.966 3.687 . 0 0 "[ . 1 . 2]" 1
325 1 25 GLU QB 1 38 LYS H . . 3.840 2.005 1.902 2.150 . 0 0 "[ . 1 . 2]" 1
326 1 25 GLU QB 1 38 LYS HB2 . . 4.520 2.007 1.986 2.085 . 0 0 "[ . 1 . 2]" 1
327 1 25 GLU HG2 1 27 THR MG . . 4.250 4.023 3.716 4.251 0.001 12 0 "[ . 1 . 2]" 1
328 1 25 GLU HG3 1 26 HIS H . . 4.510 4.331 4.118 4.515 0.005 8 0 "[ . 1 . 2]" 1
329 1 25 GLU HG3 1 27 THR MG . . 3.520 2.857 2.540 3.160 . 0 0 "[ . 1 . 2]" 1
330 1 25 GLU HG3 1 38 LYS H . . 4.690 4.629 4.485 4.695 0.005 10 0 "[ . 1 . 2]" 1
331 1 25 GLU HG3 1 38 LYS HB2 . . 4.830 4.698 4.477 4.831 0.001 12 0 "[ . 1 . 2]" 1
332 1 26 HIS H 1 26 HIS HB2 . . 3.730 2.729 2.592 2.804 . 0 0 "[ . 1 . 2]" 1
333 1 26 HIS H 1 26 HIS HB3 . . 4.170 3.024 2.919 3.096 . 0 0 "[ . 1 . 2]" 1
334 1 26 HIS H 1 27 THR H . . 5.210 4.067 4.021 4.177 . 0 0 "[ . 1 . 2]" 1
335 1 26 HIS H 1 27 THR MG . . 4.040 3.898 3.694 4.041 0.001 9 0 "[ . 1 . 2]" 1
336 1 26 HIS H 1 36 PHE H . . 3.690 3.157 2.955 3.300 . 0 0 "[ . 1 . 2]" 1
337 1 26 HIS H 1 36 PHE HB2 . . 5.500 4.601 4.427 4.713 . 0 0 "[ . 1 . 2]" 1
338 1 26 HIS H 1 36 PHE QD . . 4.430 3.020 2.614 3.369 . 0 0 "[ . 1 . 2]" 1
339 1 26 HIS H 1 36 PHE QE . . 4.880 3.676 3.237 4.161 . 0 0 "[ . 1 . 2]" 1
340 1 26 HIS H 1 38 LYS H . . 5.430 4.687 4.459 4.993 . 0 0 "[ . 1 . 2]" 1
341 1 26 HIS HB2 1 36 PHE H . . 3.780 3.747 3.453 4.030 0.250 12 0 "[ . 1 . 2]" 1
342 1 26 HIS HB2 1 36 PHE QE . . 4.540 2.779 2.575 3.041 . 0 0 "[ . 1 . 2]" 1
343 1 26 HIS HB2 1 36 PHE HZ . . 4.210 2.907 2.703 3.364 . 0 0 "[ . 1 . 2]" 1
344 1 26 HIS HB3 1 36 PHE H . . 4.410 2.450 2.268 2.649 . 0 0 "[ . 1 . 2]" 1
345 1 26 HIS HB3 1 36 PHE QD . . 4.100 3.561 3.429 3.740 . 0 0 "[ . 1 . 2]" 1
346 1 26 HIS HB3 1 36 PHE QE . . 4.390 3.469 3.312 3.693 . 0 0 "[ . 1 . 2]" 1
347 1 26 HIS HB3 1 36 PHE HZ . . 3.970 3.942 3.742 4.149 0.179 3 0 "[ . 1 . 2]" 1
348 1 26 HIS HD2 1 29 PRO HA . . 4.530 2.626 2.394 2.921 . 0 0 "[ . 1 . 2]" 1
349 1 26 HIS HD2 1 29 PRO HB2 . . 3.560 3.559 3.540 3.574 0.014 16 0 "[ . 1 . 2]" 1
350 1 26 HIS HD2 1 29 PRO HB3 . . 4.490 2.006 1.990 2.038 . 0 0 "[ . 1 . 2]" 1
351 1 26 HIS HD2 1 30 LYS H . . 5.500 4.013 3.905 4.107 . 0 0 "[ . 1 . 2]" 1
352 1 26 HIS HD2 1 35 ALA MB . . 4.920 4.628 4.417 4.792 . 0 0 "[ . 1 . 2]" 1
353 1 26 HIS HD2 1 36 PHE H . . 4.950 4.758 4.560 4.935 . 0 0 "[ . 1 . 2]" 1
354 1 26 HIS HD2 1 36 PHE QE . . 4.390 3.421 2.943 4.033 . 0 0 "[ . 1 . 2]" 1
355 1 26 HIS HE1 1 29 PRO HA . . 4.390 3.961 3.848 4.062 . 0 0 "[ . 1 . 2]" 1
356 1 26 HIS HE1 1 30 LYS H . . 5.480 5.457 5.269 5.487 0.007 12 0 "[ . 1 . 2]" 1
357 1 27 THR H 1 27 THR MG . . 4.120 2.356 1.987 2.706 . 0 0 "[ . 1 . 2]" 1
358 1 27 THR H 1 28 ARG H . . 4.220 2.227 2.149 2.343 . 0 0 "[ . 1 . 2]" 1
359 1 27 THR HA 1 27 THR MG . . 3.230 2.467 2.300 2.621 . 0 0 "[ . 1 . 2]" 1
360 1 27 THR HA 1 29 PRO QD . . 4.270 3.909 3.829 3.959 . 0 0 "[ . 1 . 2]" 1
361 1 27 THR HA 1 35 ALA MB . . 3.540 3.025 2.927 3.094 . 0 0 "[ . 1 . 2]" 1
362 1 27 THR HA 1 36 PHE H . . 4.440 3.957 3.759 4.119 . 0 0 "[ . 1 . 2]" 1
363 1 27 THR HB 1 28 ARG H . . 4.660 3.921 3.566 4.252 . 0 0 "[ . 1 . 2]" 1
364 1 27 THR HB 1 28 ARG QG . . 4.380 3.748 3.065 4.197 . 0 0 "[ . 1 . 2]" 1
365 1 27 THR HB 1 35 ALA MB . . 4.930 4.901 4.741 4.939 0.009 9 0 "[ . 1 . 2]" 1
366 1 27 THR MG 1 36 PHE H . . 5.180 4.872 4.654 5.083 . 0 0 "[ . 1 . 2]" 1
367 1 27 THR MG 1 37 ARG HA . . 4.060 4.059 4.010 4.080 0.020 15 0 "[ . 1 . 2]" 1
368 1 27 THR MG 1 37 ARG QD . . 4.020 2.835 2.285 3.552 . 0 0 "[ . 1 . 2]" 1
369 1 27 THR MG 1 37 ARG HG2 . . 4.690 4.307 3.884 5.269 0.579 16 1 "[ . 1 .+ 2]" 1
370 1 28 ARG H 1 28 ARG QG . . 3.940 3.294 2.883 3.562 . 0 0 "[ . 1 . 2]" 1
371 1 28 ARG H 1 29 PRO QD . . 4.640 3.491 3.399 3.562 . 0 0 "[ . 1 . 2]" 1
372 1 28 ARG HA 1 28 ARG QG . . 3.790 2.313 2.114 2.639 . 0 0 "[ . 1 . 2]" 1
373 1 28 ARG HA 1 29 PRO QD . . 3.060 2.002 1.998 2.008 . 0 0 "[ . 1 . 2]" 1
374 1 28 ARG HA 1 29 PRO HG3 . . 4.550 4.445 4.439 4.456 . 0 0 "[ . 1 . 2]" 1
375 1 28 ARG HB2 1 28 ARG HD2 . . 4.000 3.227 2.014 4.000 . 0 0 "[ . 1 . 2]" 1
376 1 28 ARG HB3 1 28 ARG HD3 . . 3.940 2.789 1.993 3.651 . 0 0 "[ . 1 . 2]" 1
377 1 28 ARG QG 1 29 PRO QD . . 4.960 3.717 3.456 4.049 . 0 0 "[ . 1 . 2]" 1
378 1 29 PRO HA 1 30 LYS H . . 2.990 2.515 2.466 2.557 . 0 0 "[ . 1 . 2]" 1
379 1 29 PRO HA 1 30 LYS HB2 . . 4.420 4.428 4.364 4.482 0.062 7 0 "[ . 1 . 2]" 1
380 1 29 PRO HA 1 33 GLU HB2 . . 4.560 4.119 3.977 4.212 . 0 0 "[ . 1 . 2]" 1
381 1 29 PRO HA 1 33 GLU HB3 . . 4.270 4.517 4.461 4.570 0.300 12 0 "[ . 1 . 2]" 1
382 1 29 PRO HB2 1 30 LYS H . . 4.360 2.521 2.422 2.636 . 0 0 "[ . 1 . 2]" 1
383 1 29 PRO HB2 1 33 GLU H . . 4.840 3.514 3.404 3.591 . 0 0 "[ . 1 . 2]" 1
384 1 29 PRO HB2 1 33 GLU HB2 . . 4.300 2.060 1.999 2.187 . 0 0 "[ . 1 . 2]" 1
385 1 29 PRO HB2 1 33 GLU HB3 . . 3.960 2.399 2.246 2.653 . 0 0 "[ . 1 . 2]" 1
386 1 29 PRO HB3 1 30 LYS H . . 4.030 3.309 3.265 3.362 . 0 0 "[ . 1 . 2]" 1
387 1 29 PRO HB3 1 33 GLU HB2 . . 3.920 3.538 3.446 3.562 . 0 0 "[ . 1 . 2]" 1
388 1 29 PRO HB3 1 33 GLU HB3 . . 3.550 3.150 3.031 3.248 . 0 0 "[ . 1 . 2]" 1
389 1 29 PRO HB3 1 35 ALA MB . . 4.760 3.799 3.668 3.910 . 0 0 "[ . 1 . 2]" 1
390 1 29 PRO QD 1 30 LYS H . . 5.360 4.928 4.897 4.959 . 0 0 "[ . 1 . 2]" 1
391 1 29 PRO QD 1 35 ALA MB . . 3.480 2.038 1.889 2.213 . 0 0 "[ . 1 . 2]" 1
392 1 29 PRO HG2 1 35 ALA H . . 4.530 4.050 3.885 4.167 . 0 0 "[ . 1 . 2]" 1
393 1 29 PRO HG2 1 35 ALA MB . . 3.570 2.921 2.808 3.041 . 0 0 "[ . 1 . 2]" 1
394 1 29 PRO HG3 1 33 GLU H . . 5.370 5.442 5.338 5.801 0.431 14 0 "[ . 1 . 2]" 1
395 1 29 PRO HG3 1 33 GLU HB3 . . 4.930 4.471 4.269 4.750 . 0 0 "[ . 1 . 2]" 1
396 1 29 PRO HG3 1 35 ALA MB . . 4.030 2.003 1.930 2.118 . 0 0 "[ . 1 . 2]" 1
397 1 30 LYS H 1 30 LYS HB2 . . 3.620 2.017 2.008 2.030 . 0 0 "[ . 1 . 2]" 1
398 1 30 LYS H 1 30 LYS HB3 . . 4.000 3.239 3.204 3.310 . 0 0 "[ . 1 . 2]" 1
399 1 30 LYS H 1 30 LYS QD . . 4.700 4.431 3.925 4.614 . 0 0 "[ . 1 . 2]" 1
400 1 30 LYS H 1 30 LYS HG2 . . 4.190 4.057 3.965 4.234 0.044 9 0 "[ . 1 . 2]" 1
401 1 30 LYS H 1 30 LYS HG3 . . 3.670 3.495 3.263 3.633 . 0 0 "[ . 1 . 2]" 1
402 1 30 LYS H 1 33 GLU HB2 . . 4.310 2.359 2.056 2.443 . 0 0 "[ . 1 . 2]" 1
403 1 30 LYS H 1 33 GLU HB3 . . 3.880 3.314 3.139 3.410 . 0 0 "[ . 1 . 2]" 1
404 1 30 LYS HA 1 30 LYS QD . . 4.310 3.745 3.621 3.921 . 0 0 "[ . 1 . 2]" 1
405 1 30 LYS HA 1 30 LYS HG2 . . 3.740 2.091 1.986 2.480 . 0 0 "[ . 1 . 2]" 1
406 1 30 LYS HA 1 30 LYS HG3 . . 3.950 2.776 2.324 2.922 . 0 0 "[ . 1 . 2]" 1
407 1 30 LYS HA 1 31 PRO HD2 . . 3.360 3.056 3.038 3.071 . 0 0 "[ . 1 . 2]" 1
408 1 30 LYS HA 1 31 PRO HD3 . . 3.070 2.235 2.219 2.247 . 0 0 "[ . 1 . 2]" 1
409 1 30 LYS HA 1 31 PRO HG3 . . 4.720 4.461 4.448 4.473 . 0 0 "[ . 1 . 2]" 1
410 1 30 LYS HB2 1 31 PRO HD2 . . 3.720 3.518 3.502 3.537 . 0 0 "[ . 1 . 2]" 1
411 1 30 LYS HB2 1 31 PRO HD3 . . 4.050 4.099 4.078 4.126 0.076 8 0 "[ . 1 . 2]" 1
412 1 30 LYS HB2 1 33 GLU QG . . 4.260 3.013 1.987 3.481 . 0 0 "[ . 1 . 2]" 1
413 1 30 LYS HB3 1 30 LYS QE . . 4.670 3.779 3.246 4.152 . 0 0 "[ . 1 . 2]" 1
414 1 30 LYS HB3 1 31 PRO HD2 . . 3.140 1.985 1.971 1.992 . 0 0 "[ . 1 . 2]" 1
415 1 30 LYS HB3 1 31 PRO HD3 . . 3.790 3.079 3.067 3.086 . 0 0 "[ . 1 . 2]" 1
416 1 30 LYS QD 1 31 PRO HD2 . . 4.690 2.224 1.926 3.430 . 0 0 "[ . 1 . 2]" 1
417 1 30 LYS QE 1 30 LYS HG2 . . 3.640 2.752 2.057 3.307 . 0 0 "[ . 1 . 2]" 1
418 1 30 LYS HG2 1 31 PRO HD2 . . 4.560 2.344 1.991 2.459 . 0 0 "[ . 1 . 2]" 1
419 1 30 LYS HG2 1 31 PRO HD3 . . 4.630 1.992 1.983 2.031 . 0 0 "[ . 1 . 2]" 1
420 1 30 LYS HG3 1 31 PRO HD2 . . 4.870 3.627 3.511 3.669 . 0 0 "[ . 1 . 2]" 1
421 1 31 PRO HA 1 33 GLU H . . 4.430 3.748 3.617 3.826 . 0 0 "[ . 1 . 2]" 1
422 1 32 GLY H 1 33 GLU H . . 4.610 1.905 1.890 1.999 . 0 0 "[ . 1 . 2]" 1
423 1 33 GLU H 1 33 GLU HB2 . . 3.940 2.412 2.291 2.460 . 0 0 "[ . 1 . 2]" 1
424 1 33 GLU H 1 33 GLU HB3 . . 3.550 3.586 3.543 3.614 0.064 17 0 "[ . 1 . 2]" 1
425 1 33 GLU H 1 33 GLU QG . . 3.740 3.246 3.064 3.515 . 0 0 "[ . 1 . 2]" 1
426 1 33 GLU H 1 34 LEU H . . 4.630 4.478 4.435 4.523 . 0 0 "[ . 1 . 2]" 1
427 1 33 GLU HB2 1 34 LEU H . . 4.110 3.655 3.530 3.744 . 0 0 "[ . 1 . 2]" 1
428 1 33 GLU HB3 1 34 LEU H . . 4.710 2.219 2.092 2.324 . 0 0 "[ . 1 . 2]" 1
429 1 33 GLU QG 1 34 LEU H . . 4.680 3.475 3.330 3.983 . 0 0 "[ . 1 . 2]" 1
430 1 33 GLU QG 1 53 TRP HH2 . . 4.670 3.898 3.199 4.293 . 0 0 "[ . 1 . 2]" 1
431 1 33 GLU QG 1 53 TRP HZ3 . . 4.360 3.521 2.985 3.894 . 0 0 "[ . 1 . 2]" 1
432 1 33 GLU QG 1 66 LEU QB . . 4.310 2.646 2.088 3.642 . 0 0 "[ . 1 . 2]" 1
433 1 33 GLU QG 1 66 LEU QD . . 4.650 3.440 2.827 4.108 . 0 0 "[ . 1 . 2]" 1
434 1 34 LEU H 1 34 LEU HB2 . . 3.570 3.160 3.048 3.257 . 0 0 "[ . 1 . 2]" 1
435 1 34 LEU H 1 34 LEU HB3 . . 3.680 2.244 2.198 2.322 . 0 0 "[ . 1 . 2]" 1
436 1 34 LEU H 1 34 LEU MD1 . . 4.550 4.421 4.379 4.487 . 0 0 "[ . 1 . 2]" 1
437 1 34 LEU H 1 34 LEU MD2 . . 3.960 3.979 3.954 3.999 0.039 10 0 "[ . 1 . 2]" 1
438 1 34 LEU H 1 34 LEU HG . . 4.420 4.028 3.946 4.113 . 0 0 "[ . 1 . 2]" 1
439 1 34 LEU H 1 35 ALA H . . 5.100 4.568 4.541 4.589 . 0 0 "[ . 1 . 2]" 1
440 1 34 LEU H 1 65 GLY HA2 . . 5.410 4.338 4.022 4.903 . 0 0 "[ . 1 . 2]" 1
441 1 34 LEU H 1 65 GLY HA3 . . 5.360 3.037 2.702 3.632 . 0 0 "[ . 1 . 2]" 1
442 1 34 LEU H 1 66 LEU H . . 4.560 3.378 3.034 3.883 . 0 0 "[ . 1 . 2]" 1
443 1 34 LEU HA 1 34 LEU MD1 . . 3.390 2.502 2.440 2.710 . 0 0 "[ . 1 . 2]" 1
444 1 34 LEU HA 1 35 ALA H . . 3.020 2.387 2.348 2.430 . 0 0 "[ . 1 . 2]" 1
445 1 34 LEU HB2 1 34 LEU MD1 . . 3.270 2.234 2.086 2.289 . 0 0 "[ . 1 . 2]" 1
446 1 34 LEU HB2 1 35 ALA H . . 4.120 3.683 3.579 3.786 . 0 0 "[ . 1 . 2]" 1
447 1 34 LEU HB2 1 65 GLY H . . 4.460 3.490 3.164 3.864 . 0 0 "[ . 1 . 2]" 1
448 1 34 LEU HB2 1 65 GLY HA2 . . 4.190 3.549 3.450 3.620 . 0 0 "[ . 1 . 2]" 1
449 1 34 LEU HB2 1 65 GLY HA3 . . 3.820 2.011 1.989 2.106 . 0 0 "[ . 1 . 2]" 1
450 1 34 LEU HB3 1 34 LEU MD2 . . 3.440 2.052 1.983 2.216 . 0 0 "[ . 1 . 2]" 1
451 1 34 LEU HB3 1 35 ALA H . . 4.650 4.076 4.036 4.113 . 0 0 "[ . 1 . 2]" 1
452 1 34 LEU HB3 1 36 PHE QD . . 4.730 4.365 4.112 4.574 . 0 0 "[ . 1 . 2]" 1
453 1 34 LEU HB3 1 65 GLY HA3 . . 4.570 2.017 1.994 2.120 . 0 0 "[ . 1 . 2]" 1
454 1 34 LEU MD1 1 35 ALA H . . 4.140 2.058 1.879 2.383 . 0 0 "[ . 1 . 2]" 1
455 1 34 LEU MD1 1 36 PHE HB3 . . 4.730 4.053 3.730 4.288 . 0 0 "[ . 1 . 2]" 1
456 1 34 LEU MD1 1 36 PHE QD . . 4.310 4.227 3.981 4.314 0.004 13 0 "[ . 1 . 2]" 1
457 1 34 LEU MD1 1 58 HIS H . . 4.760 3.794 3.379 4.169 . 0 0 "[ . 1 . 2]" 1
458 1 34 LEU MD1 1 58 HIS HB2 . . 3.860 2.694 2.309 3.119 . 0 0 "[ . 1 . 2]" 1
459 1 34 LEU MD1 1 58 HIS HB3 . . 3.780 3.340 2.968 3.725 . 0 0 "[ . 1 . 2]" 1
460 1 34 LEU MD1 1 58 HIS HD2 . . 4.180 3.576 3.103 4.054 . 0 0 "[ . 1 . 2]" 1
461 1 34 LEU MD1 1 63 GLN H . . 4.820 3.539 3.126 3.857 . 0 0 "[ . 1 . 2]" 1
462 1 34 LEU MD1 1 63 GLN HA . . 4.780 4.585 4.331 4.780 . 0 0 "[ . 1 . 2]" 1
463 1 34 LEU MD1 1 63 GLN HB2 . . 3.520 2.077 1.911 2.277 . 0 0 "[ . 1 . 2]" 1
464 1 34 LEU MD1 1 63 GLN HB3 . . 3.630 3.323 2.860 3.630 . 0 0 "[ . 1 . 2]" 1
465 1 34 LEU MD1 1 63 GLN QG . . 4.250 3.622 2.723 3.921 . 0 0 "[ . 1 . 2]" 1
466 1 34 LEU MD1 1 64 GLU H . . 4.380 4.026 3.698 4.331 . 0 0 "[ . 1 . 2]" 1
467 1 34 LEU MD1 1 64 GLU HA . . 4.490 4.198 3.959 4.433 . 0 0 "[ . 1 . 2]" 1
468 1 34 LEU MD1 1 65 GLY H . . 4.040 4.020 3.888 4.052 0.012 12 0 "[ . 1 . 2]" 1
469 1 34 LEU MD1 1 65 GLY HA3 . . 3.990 3.826 3.667 3.930 . 0 0 "[ . 1 . 2]" 1
470 1 34 LEU MD2 1 35 ALA H . . 4.010 3.967 3.909 4.009 . 0 0 "[ . 1 . 2]" 1
471 1 34 LEU MD2 1 36 PHE HB3 . . 4.670 3.334 3.058 3.523 . 0 0 "[ . 1 . 2]" 1
472 1 34 LEU MD2 1 36 PHE QD . . 4.470 3.071 2.726 3.418 . 0 0 "[ . 1 . 2]" 1
473 1 34 LEU MD2 1 58 HIS H . . 4.060 2.971 2.788 3.284 . 0 0 "[ . 1 . 2]" 1
474 1 34 LEU MD2 1 58 HIS HA . . 4.470 3.950 3.732 4.243 . 0 0 "[ . 1 . 2]" 1
475 1 34 LEU MD2 1 58 HIS HB2 . . 3.380 2.214 1.985 2.426 . 0 0 "[ . 1 . 2]" 1
476 1 34 LEU MD2 1 58 HIS HB3 . . 3.740 3.632 3.441 3.745 0.005 12 0 "[ . 1 . 2]" 1
477 1 34 LEU MD2 1 58 HIS HD2 . . 3.700 2.792 2.364 3.427 . 0 0 "[ . 1 . 2]" 1
478 1 34 LEU MD2 1 64 GLU HA . . 3.990 3.423 3.221 3.705 . 0 0 "[ . 1 . 2]" 1
479 1 34 LEU MD2 1 65 GLY H . . 3.620 2.451 2.181 2.806 . 0 0 "[ . 1 . 2]" 1
480 1 34 LEU MD2 1 65 GLY HA2 . . 4.330 4.178 3.900 4.337 0.007 12 0 "[ . 1 . 2]" 1
481 1 34 LEU MD2 1 65 GLY HA3 . . 3.920 2.933 2.688 3.178 . 0 0 "[ . 1 . 2]" 1
482 1 34 LEU HG 1 35 ALA H . . 3.780 2.434 2.364 2.515 . 0 0 "[ . 1 . 2]" 1
483 1 34 LEU HG 1 36 PHE QD . . 4.610 2.829 2.506 2.973 . 0 0 "[ . 1 . 2]" 1
484 1 34 LEU HG 1 58 HIS HD2 . . 4.660 3.862 3.309 4.610 . 0 0 "[ . 1 . 2]" 1
485 1 34 LEU HG 1 65 GLY HA3 . . 4.430 4.425 4.341 4.451 0.021 12 0 "[ . 1 . 2]" 1
486 1 35 ALA H 1 35 ALA MB . . 3.040 2.349 2.283 2.409 . 0 0 "[ . 1 . 2]" 1
487 1 35 ALA MB 1 36 PHE H . . 3.420 2.753 2.506 2.959 . 0 0 "[ . 1 . 2]" 1
488 1 36 PHE H 1 36 PHE QD . . 4.310 3.248 3.075 3.421 . 0 0 "[ . 1 . 2]" 1
489 1 36 PHE H 1 37 ARG H . . 4.850 4.366 4.316 4.391 . 0 0 "[ . 1 . 2]" 1
490 1 36 PHE HB2 1 37 ARG H . . 3.490 2.438 2.212 2.797 . 0 0 "[ . 1 . 2]" 1
491 1 36 PHE HB2 1 40 ASP QB . . 4.350 2.730 2.483 2.964 . 0 0 "[ . 1 . 2]" 1
492 1 36 PHE HB2 1 58 HIS HD2 . . 3.820 3.102 2.584 3.725 . 0 0 "[ . 1 . 2]" 1
493 1 36 PHE HB3 1 37 ARG H . . 3.820 3.747 3.611 3.839 0.019 14 0 "[ . 1 . 2]" 1
494 1 36 PHE HB3 1 40 ASP QB . . 4.770 3.965 3.740 4.231 . 0 0 "[ . 1 . 2]" 1
495 1 36 PHE HB3 1 58 HIS HD2 . . 3.820 2.133 2.000 2.998 . 0 0 "[ . 1 . 2]" 1
496 1 36 PHE QD 1 37 ARG H . . 4.480 3.381 2.951 4.016 . 0 0 "[ . 1 . 2]" 1
497 1 36 PHE QD 1 40 ASP H . . 5.340 4.768 4.431 5.214 . 0 0 "[ . 1 . 2]" 1
498 1 36 PHE QD 1 67 LEU MD1 . . 3.890 3.543 3.171 3.848 . 0 0 "[ . 1 . 2]" 1
499 1 36 PHE QD 1 67 LEU HG . . 4.430 3.454 3.067 3.733 . 0 0 "[ . 1 . 2]" 1
500 1 36 PHE QE 1 67 LEU MD1 . . 4.070 3.713 3.159 4.052 . 0 0 "[ . 1 . 2]" 1
501 1 36 PHE QE 1 67 LEU MD2 . . 3.860 2.390 1.992 3.051 . 0 0 "[ . 1 . 2]" 1
502 1 36 PHE QE 1 67 LEU HG . . 3.740 2.692 2.140 3.179 . 0 0 "[ . 1 . 2]" 1
503 1 36 PHE QE 1 71 ALA MB . . 4.100 3.721 3.377 4.024 . 0 0 "[ . 1 . 2]" 1
504 1 36 PHE HZ 1 67 LEU MD2 . . 3.710 2.425 2.026 2.942 . 0 0 "[ . 1 . 2]" 1
505 1 36 PHE HZ 1 71 ALA MB . . 3.320 3.261 2.968 3.329 0.009 15 0 "[ . 1 . 2]" 1
506 1 37 ARG H 1 37 ARG HB2 . . 4.010 2.368 2.208 2.445 . 0 0 "[ . 1 . 2]" 1
507 1 37 ARG H 1 37 ARG HB3 . . 3.580 3.584 3.474 3.640 0.060 4 0 "[ . 1 . 2]" 1
508 1 37 ARG H 1 37 ARG QD . . 4.500 4.061 2.255 4.504 0.004 19 0 "[ . 1 . 2]" 1
509 1 37 ARG H 1 37 ARG HG2 . . 4.230 3.188 2.918 4.083 . 0 0 "[ . 1 . 2]" 1
510 1 37 ARG H 1 37 ARG HG3 . . 4.160 4.062 3.780 4.240 0.080 10 0 "[ . 1 . 2]" 1
511 1 37 ARG H 1 38 LYS H . . 5.140 4.483 4.428 4.543 . 0 0 "[ . 1 . 2]" 1
512 1 37 ARG H 1 40 ASP H . . 5.230 5.045 4.815 5.230 . 0 0 "[ . 1 . 2]" 1
513 1 37 ARG H 1 40 ASP QB . . 4.660 3.007 2.611 3.417 . 0 0 "[ . 1 . 2]" 1
514 1 37 ARG H 1 58 HIS HD2 . . 5.440 4.760 4.289 5.373 . 0 0 "[ . 1 . 2]" 1
515 1 37 ARG H 1 58 HIS HE2 . . 4.860 2.653 2.229 3.372 . 0 0 "[ . 1 . 2]" 1
516 1 37 ARG HA 1 37 ARG QD . . 3.550 2.188 1.987 2.480 . 0 0 "[ . 1 . 2]" 1
517 1 37 ARG HA 1 37 ARG HG2 . . 3.680 2.775 2.482 3.642 . 0 0 "[ . 1 . 2]" 1
518 1 37 ARG HA 1 37 ARG HG3 . . 3.760 3.572 2.550 3.715 . 0 0 "[ . 1 . 2]" 1
519 1 37 ARG HA 1 38 LYS H . . 3.300 2.668 2.603 2.757 . 0 0 "[ . 1 . 2]" 1
520 1 37 ARG HB2 1 37 ARG QD . . 3.230 3.274 2.495 3.551 0.321 4 0 "[ . 1 . 2]" 1
521 1 37 ARG HB2 1 38 LYS H . . 3.400 3.534 3.341 3.653 0.253 10 0 "[ . 1 . 2]" 1
522 1 37 ARG HB3 1 37 ARG QD . . 3.870 2.458 2.204 3.332 . 0 0 "[ . 1 . 2]" 1
523 1 37 ARG HB3 1 37 ARG HG2 . . 3.040 2.995 2.541 3.056 0.016 12 0 "[ . 1 . 2]" 1
524 1 37 ARG HB3 1 38 LYS H . . 3.700 2.127 1.952 2.260 . 0 0 "[ . 1 . 2]" 1
525 1 37 ARG QD 1 38 LYS H . . 4.340 3.009 2.641 4.323 . 0 0 "[ . 1 . 2]" 1
526 1 37 ARG HG2 1 38 LYS H . . 4.690 4.518 4.382 4.687 . 0 0 "[ . 1 . 2]" 1
527 1 37 ARG HG3 1 38 LYS H . . 4.590 4.424 3.374 4.668 0.078 14 0 "[ . 1 . 2]" 1
528 1 38 LYS H 1 38 LYS HB2 . . 3.520 2.544 2.325 2.822 . 0 0 "[ . 1 . 2]" 1
529 1 38 LYS H 1 38 LYS HB3 . . 3.330 2.477 2.326 2.633 . 0 0 "[ . 1 . 2]" 1
530 1 38 LYS H 1 38 LYS HG2 . . 4.480 4.372 4.278 4.440 . 0 0 "[ . 1 . 2]" 1
531 1 38 LYS H 1 38 LYS HG3 . . 4.960 4.490 4.320 4.669 . 0 0 "[ . 1 . 2]" 1
532 1 38 LYS H 1 39 GLY H . . 5.140 4.538 4.403 4.658 . 0 0 "[ . 1 . 2]" 1
533 1 38 LYS HA 1 38 LYS QD . . 4.360 4.084 4.009 4.143 . 0 0 "[ . 1 . 2]" 1
534 1 38 LYS HA 1 38 LYS HG2 . . 3.850 2.737 2.622 2.869 . 0 0 "[ . 1 . 2]" 1
535 1 38 LYS HA 1 38 LYS HG3 . . 3.630 2.712 2.508 2.991 . 0 0 "[ . 1 . 2]" 1
536 1 38 LYS HA 1 39 GLY H . . 3.090 2.213 2.177 2.322 . 0 0 "[ . 1 . 2]" 1
537 1 38 LYS HA 1 40 ASP H . . 4.120 3.899 3.707 4.068 . 0 0 "[ . 1 . 2]" 1
538 1 38 LYS HB2 1 38 LYS QE . . 4.640 3.482 2.428 4.187 . 0 0 "[ . 1 . 2]" 1
539 1 38 LYS HB2 1 39 GLY H . . 4.560 4.327 4.121 4.460 . 0 0 "[ . 1 . 2]" 1
540 1 38 LYS HB3 1 38 LYS QE . . 4.410 3.712 3.210 4.157 . 0 0 "[ . 1 . 2]" 1
541 1 38 LYS HB3 1 39 GLY H . . 4.720 4.239 3.783 4.528 . 0 0 "[ . 1 . 2]" 1
542 1 38 LYS QD 1 39 GLY HA3 . . 5.000 4.800 4.447 4.983 . 0 0 "[ . 1 . 2]" 1
543 1 38 LYS QE 1 38 LYS HG2 . . 3.390 2.859 2.022 3.265 . 0 0 "[ . 1 . 2]" 1
544 1 38 LYS QE 1 38 LYS HG3 . . 3.370 2.222 1.969 2.908 . 0 0 "[ . 1 . 2]" 1
545 1 38 LYS HG2 1 39 GLY H . . 4.230 2.709 2.052 3.217 . 0 0 "[ . 1 . 2]" 1
546 1 38 LYS HG2 1 39 GLY HA2 . . 4.290 3.893 3.629 4.020 . 0 0 "[ . 1 . 2]" 1
547 1 38 LYS HG2 1 39 GLY HA3 . . 4.890 3.630 3.345 3.793 . 0 0 "[ . 1 . 2]" 1
548 1 38 LYS HG3 1 39 GLY H . . 4.170 3.569 3.008 4.066 . 0 0 "[ . 1 . 2]" 1
549 1 39 GLY H 1 40 ASP H . . 3.560 2.503 2.241 2.955 . 0 0 "[ . 1 . 2]" 1
550 1 39 GLY H 1 40 ASP QB . . 5.160 4.092 3.798 4.613 . 0 0 "[ . 1 . 2]" 1
551 1 40 ASP H 1 40 ASP QB . . 3.550 2.197 2.155 2.295 . 0 0 "[ . 1 . 2]" 1
552 1 40 ASP H 1 41 VAL H . . 4.910 4.528 4.501 4.551 . 0 0 "[ . 1 . 2]" 1
553 1 40 ASP HA 1 41 VAL H . . 2.890 2.335 2.304 2.362 . 0 0 "[ . 1 . 2]" 1
554 1 40 ASP QB 1 41 VAL H . . 3.890 3.263 2.970 3.624 . 0 0 "[ . 1 . 2]" 1
555 1 40 ASP QB 1 42 VAL MG1 . . 4.560 3.029 2.662 3.563 . 0 0 "[ . 1 . 2]" 1
556 1 40 ASP QB 1 58 HIS HD2 . . 4.290 3.941 3.765 4.073 . 0 0 "[ . 1 . 2]" 1
557 1 40 ASP QB 1 58 HIS HE1 . . 4.790 4.042 3.721 4.336 . 0 0 "[ . 1 . 2]" 1
558 1 40 ASP QB 1 58 HIS HE2 . . 4.680 2.770 2.382 3.033 . 0 0 "[ . 1 . 2]" 1
559 1 41 VAL H 1 41 VAL HB . . 3.370 2.308 2.259 2.349 . 0 0 "[ . 1 . 2]" 1
560 1 41 VAL H 1 41 VAL MG1 . . 4.150 3.690 3.661 3.715 . 0 0 "[ . 1 . 2]" 1
561 1 41 VAL H 1 41 VAL MG2 . . 3.080 2.691 2.540 2.784 . 0 0 "[ . 1 . 2]" 1
562 1 41 VAL H 1 42 VAL H . . 4.850 4.523 4.447 4.579 . 0 0 "[ . 1 . 2]" 1
563 1 41 VAL H 1 42 VAL HA . . 5.280 5.196 5.133 5.284 0.004 20 0 "[ . 1 . 2]" 1
564 1 41 VAL H 1 42 VAL MG1 . . 5.070 4.047 3.902 4.285 . 0 0 "[ . 1 . 2]" 1
565 1 41 VAL H 1 59 HIS QB . . 4.660 4.003 3.632 4.408 . 0 0 "[ . 1 . 2]" 1
566 1 41 VAL HA 1 41 VAL MG1 . . 3.230 2.486 2.414 2.543 . 0 0 "[ . 1 . 2]" 1
567 1 41 VAL HA 1 41 VAL MG2 . . 3.020 2.206 2.161 2.314 . 0 0 "[ . 1 . 2]" 1
568 1 41 VAL HA 1 42 VAL H . . 3.010 2.215 2.184 2.254 . 0 0 "[ . 1 . 2]" 1
569 1 41 VAL HA 1 42 VAL MG2 . . 4.000 3.519 3.332 3.688 . 0 0 "[ . 1 . 2]" 1
570 1 41 VAL HB 1 42 VAL H . . 4.750 4.297 4.153 4.445 . 0 0 "[ . 1 . 2]" 1
571 1 41 VAL HB 1 59 HIS H . . 5.290 4.754 4.321 5.093 . 0 0 "[ . 1 . 2]" 1
572 1 41 VAL HB 1 59 HIS QB . . 3.600 3.285 2.938 3.600 . 0 0 "[ . 1 . 2]" 1
573 1 41 VAL MG1 1 42 VAL H . . 3.290 2.470 2.207 2.686 . 0 0 "[ . 1 . 2]" 1
574 1 41 VAL MG1 1 42 VAL HA . . 3.800 3.425 3.305 3.554 . 0 0 "[ . 1 . 2]" 1
575 1 41 VAL MG1 1 59 HIS H . . 5.200 4.517 3.750 4.877 . 0 0 "[ . 1 . 2]" 1
576 1 41 VAL MG1 1 59 HIS QB . . 3.710 3.222 2.536 3.586 . 0 0 "[ . 1 . 2]" 1
577 1 41 VAL MG1 1 75 ARG HD2 . . 3.790 3.167 2.551 3.437 . 0 0 "[ . 1 . 2]" 1
578 1 41 VAL MG1 1 75 ARG HD3 . . 4.220 4.120 3.467 4.230 0.010 6 0 "[ . 1 . 2]" 1
579 1 41 VAL MG2 1 42 VAL H . . 3.930 3.938 3.914 3.977 0.047 7 0 "[ . 1 . 2]" 1
580 1 41 VAL MG2 1 75 ARG HD2 . . 3.690 2.307 2.139 2.583 . 0 0 "[ . 1 . 2]" 1
581 1 41 VAL MG2 1 75 ARG HD3 . . 4.050 3.666 3.397 3.915 . 0 0 "[ . 1 . 2]" 1
582 1 42 VAL H 1 42 VAL MG1 . . 3.770 3.199 3.000 3.490 . 0 0 "[ . 1 . 2]" 1
583 1 42 VAL H 1 42 VAL MG2 . . 3.370 2.034 1.935 2.192 . 0 0 "[ . 1 . 2]" 1
584 1 42 VAL HA 1 42 VAL MG1 . . 3.220 2.192 2.050 2.305 . 0 0 "[ . 1 . 2]" 1
585 1 42 VAL HA 1 42 VAL MG2 . . 3.700 3.203 3.180 3.214 . 0 0 "[ . 1 . 2]" 1
586 1 42 VAL HA 1 43 THR H . . 3.250 2.425 2.253 2.697 . 0 0 "[ . 1 . 2]" 1
587 1 42 VAL HA 1 43 THR HB . . 4.420 4.425 4.411 4.444 0.024 19 0 "[ . 1 . 2]" 1
588 1 42 VAL HA 1 43 THR HG1 . . 3.830 3.503 3.306 3.646 . 0 0 "[ . 1 . 2]" 1
589 1 42 VAL HA 1 56 VAL HB . . 4.470 4.166 3.951 4.396 . 0 0 "[ . 1 . 2]" 1
590 1 42 VAL HA 1 57 LYS H . . 5.170 3.901 3.658 4.190 . 0 0 "[ . 1 . 2]" 1
591 1 42 VAL HA 1 58 HIS HA . . 3.740 3.284 2.816 3.668 . 0 0 "[ . 1 . 2]" 1
592 1 42 VAL HA 1 59 HIS H . . 3.800 3.280 3.002 3.446 . 0 0 "[ . 1 . 2]" 1
593 1 42 VAL HB 1 43 THR H . . 3.440 2.622 2.044 3.079 . 0 0 "[ . 1 . 2]" 1
594 1 42 VAL HB 1 56 VAL HA . . 4.730 4.222 4.111 4.405 . 0 0 "[ . 1 . 2]" 1
595 1 42 VAL HB 1 56 VAL HB . . 3.340 2.075 1.995 2.267 . 0 0 "[ . 1 . 2]" 1
596 1 42 VAL HB 1 56 VAL MG2 . . 3.360 2.010 1.917 2.268 . 0 0 "[ . 1 . 2]" 1
597 1 42 VAL HB 1 58 HIS HA . . 4.380 3.822 3.466 4.045 . 0 0 "[ . 1 . 2]" 1
598 1 42 VAL HB 1 59 HIS H . . 5.040 5.022 4.883 5.062 0.022 12 0 "[ . 1 . 2]" 1
599 1 42 VAL MG1 1 43 THR H . . 3.880 3.716 3.471 3.871 . 0 0 "[ . 1 . 2]" 1
600 1 42 VAL MG1 1 56 VAL H . . 5.290 5.281 5.219 5.305 0.015 12 0 "[ . 1 . 2]" 1
601 1 42 VAL MG1 1 56 VAL HB . . 3.950 3.666 3.559 3.824 . 0 0 "[ . 1 . 2]" 1
602 1 42 VAL MG1 1 57 LYS H . . 5.410 3.992 3.697 4.273 . 0 0 "[ . 1 . 2]" 1
603 1 42 VAL MG1 1 58 HIS H . . 4.960 3.817 3.583 3.942 . 0 0 "[ . 1 . 2]" 1
604 1 42 VAL MG1 1 58 HIS HA . . 2.990 1.957 1.863 2.032 . 0 0 "[ . 1 . 2]" 1
605 1 42 VAL MG1 1 58 HIS HB2 . . 3.860 3.463 3.227 3.586 . 0 0 "[ . 1 . 2]" 1
606 1 42 VAL MG1 1 58 HIS HB3 . . 4.380 4.342 4.207 4.390 0.010 19 0 "[ . 1 . 2]" 1
607 1 42 VAL MG1 1 58 HIS HD2 . . 3.230 3.012 2.219 3.232 0.002 5 0 "[ . 1 . 2]" 1
608 1 42 VAL MG1 1 59 HIS H . . 3.960 2.876 2.444 3.344 . 0 0 "[ . 1 . 2]" 1
609 1 42 VAL MG2 1 43 THR H . . 4.360 3.686 3.162 3.985 . 0 0 "[ . 1 . 2]" 1
610 1 42 VAL MG2 1 43 THR HA . . 4.370 4.171 3.843 4.387 0.017 15 0 "[ . 1 . 2]" 1
611 1 42 VAL MG2 1 44 ILE H . . 5.390 4.739 4.298 5.395 0.005 15 0 "[ . 1 . 2]" 1
612 1 42 VAL MG2 1 56 VAL HB . . 3.620 2.482 1.975 3.151 . 0 0 "[ . 1 . 2]" 1
613 1 42 VAL MG2 1 56 VAL MG1 . . 3.370 2.319 2.053 3.005 . 0 0 "[ . 1 . 2]" 1
614 1 42 VAL MG2 1 56 VAL MG2 . . 3.590 1.931 1.807 2.124 . 0 0 "[ . 1 . 2]" 1
615 1 42 VAL MG2 1 57 LYS H . . 5.220 4.162 3.903 4.584 . 0 0 "[ . 1 . 2]" 1
616 1 43 THR H 1 43 THR HB . . 3.220 2.446 2.292 2.700 . 0 0 "[ . 1 . 2]" 1
617 1 43 THR H 1 43 THR HG1 . . 4.080 2.792 2.509 3.080 . 0 0 "[ . 1 . 2]" 1
618 1 43 THR H 1 43 THR MG . . 4.580 3.773 3.706 3.881 . 0 0 "[ . 1 . 2]" 1
619 1 43 THR H 1 56 VAL HB . . 4.280 2.949 2.269 3.331 . 0 0 "[ . 1 . 2]" 1
620 1 43 THR H 1 56 VAL MG1 . . 4.640 4.388 3.818 4.645 0.005 6 0 "[ . 1 . 2]" 1
621 1 43 THR H 1 56 VAL MG2 . . 4.980 3.845 3.277 4.247 . 0 0 "[ . 1 . 2]" 1
622 1 43 THR H 1 57 LYS HB3 . . 4.410 3.275 3.070 3.789 . 0 0 "[ . 1 . 2]" 1
623 1 43 THR H 1 57 LYS QG . . 5.340 4.912 4.709 5.219 . 0 0 "[ . 1 . 2]" 1
624 1 43 THR H 1 59 HIS H . . 5.200 5.075 4.682 5.211 0.011 12 0 "[ . 1 . 2]" 1
625 1 43 THR HA 1 43 THR MG . . 3.390 2.435 2.356 2.518 . 0 0 "[ . 1 . 2]" 1
626 1 43 THR HA 1 44 ILE H . . 3.310 2.171 2.150 2.230 . 0 0 "[ . 1 . 2]" 1
627 1 43 THR HA 1 44 ILE HB . . 4.700 4.532 4.476 4.618 . 0 0 "[ . 1 . 2]" 1
628 1 43 THR HB 1 44 ILE H . . 5.120 4.374 4.213 4.463 . 0 0 "[ . 1 . 2]" 1
629 1 43 THR HB 1 57 LYS H . . 4.510 3.380 3.099 3.633 . 0 0 "[ . 1 . 2]" 1
630 1 43 THR HB 1 57 LYS HB2 . . 4.210 4.214 4.205 4.225 0.015 15 0 "[ . 1 . 2]" 1
631 1 43 THR HB 1 57 LYS HB3 . . 3.370 2.858 2.596 3.165 . 0 0 "[ . 1 . 2]" 1
632 1 43 THR MG 1 44 ILE H . . 3.550 2.761 2.428 2.984 . 0 0 "[ . 1 . 2]" 1
633 1 43 THR MG 1 57 LYS H . . 5.180 4.381 4.182 4.610 . 0 0 "[ . 1 . 2]" 1
634 1 44 ILE H 1 44 ILE HB . . 3.450 2.386 2.315 2.452 . 0 0 "[ . 1 . 2]" 1
635 1 44 ILE H 1 44 ILE MD . . 4.020 3.476 3.195 3.656 . 0 0 "[ . 1 . 2]" 1
636 1 44 ILE H 1 44 ILE HG12 . . 3.560 2.100 1.950 2.353 . 0 0 "[ . 1 . 2]" 1
637 1 44 ILE H 1 44 ILE HG13 . . 4.000 3.389 3.182 3.578 . 0 0 "[ . 1 . 2]" 1
638 1 44 ILE H 1 44 ILE MG . . 4.130 3.701 3.686 3.712 . 0 0 "[ . 1 . 2]" 1
639 1 44 ILE HA 1 44 ILE MD . . 3.260 2.141 1.981 2.345 . 0 0 "[ . 1 . 2]" 1
640 1 44 ILE HA 1 44 ILE HG12 . . 4.240 2.880 2.757 3.079 . 0 0 "[ . 1 . 2]" 1
641 1 44 ILE HA 1 44 ILE MG . . 3.240 2.435 2.309 2.498 . 0 0 "[ . 1 . 2]" 1
642 1 44 ILE HA 1 45 LEU H . . 3.160 2.195 2.176 2.234 . 0 0 "[ . 1 . 2]" 1
643 1 44 ILE HA 1 45 LEU QB . . 4.810 4.403 4.296 4.538 . 0 0 "[ . 1 . 2]" 1
644 1 44 ILE HA 1 45 LEU HG . . 4.300 3.982 3.624 4.275 . 0 0 "[ . 1 . 2]" 1
645 1 44 ILE HA 1 46 GLU H . . 4.350 4.138 3.863 4.331 . 0 0 "[ . 1 . 2]" 1
646 1 44 ILE HA 1 56 VAL HA . . 3.630 2.703 2.521 2.788 . 0 0 "[ . 1 . 2]" 1
647 1 44 ILE HA 1 56 VAL HB . . 4.170 3.377 3.255 3.535 . 0 0 "[ . 1 . 2]" 1
648 1 44 ILE HA 1 56 VAL MG1 . . 3.000 2.054 1.968 2.408 . 0 0 "[ . 1 . 2]" 1
649 1 44 ILE HA 1 56 VAL MG2 . . 4.900 4.532 4.374 4.670 . 0 0 "[ . 1 . 2]" 1
650 1 44 ILE HA 1 57 LYS H . . 5.030 4.450 4.282 4.605 . 0 0 "[ . 1 . 2]" 1
651 1 44 ILE HB 1 45 LEU H . . 5.330 4.508 4.413 4.566 . 0 0 "[ . 1 . 2]" 1
652 1 44 ILE MD 1 44 ILE MG . . 3.120 1.884 1.830 1.962 . 0 0 "[ . 1 . 2]" 1
653 1 44 ILE MD 1 45 LEU H . . 4.280 3.741 3.479 4.027 . 0 0 "[ . 1 . 2]" 1
654 1 44 ILE MD 1 54 TYR HA . . 4.720 4.482 4.058 4.725 0.005 11 0 "[ . 1 . 2]" 1
655 1 44 ILE MD 1 54 TYR HB2 . . 3.960 3.765 3.363 3.962 0.002 17 0 "[ . 1 . 2]" 1
656 1 44 ILE MD 1 54 TYR HB3 . . 3.850 2.615 2.222 2.790 . 0 0 "[ . 1 . 2]" 1
657 1 44 ILE MD 1 54 TYR QD . . 3.600 2.703 2.151 2.983 . 0 0 "[ . 1 . 2]" 1
658 1 44 ILE MD 1 54 TYR QE . . 4.400 3.866 3.514 4.224 . 0 0 "[ . 1 . 2]" 1
659 1 44 ILE MD 1 56 VAL HA . . 4.640 3.901 3.635 4.213 . 0 0 "[ . 1 . 2]" 1
660 1 44 ILE MD 1 56 VAL HB . . 4.340 3.663 3.185 4.140 . 0 0 "[ . 1 . 2]" 1
661 1 44 ILE MD 1 56 VAL MG1 . . 3.090 1.804 1.653 2.188 . 0 0 "[ . 1 . 2]" 1
662 1 44 ILE MG 1 45 LEU H . . 3.510 3.055 2.832 3.291 . 0 0 "[ . 1 . 2]" 1
663 1 44 ILE MG 1 46 GLU H . . 3.660 3.111 2.741 3.417 . 0 0 "[ . 1 . 2]" 1
664 1 44 ILE MG 1 47 ALA H . . 5.080 3.939 3.225 4.615 . 0 0 "[ . 1 . 2]" 1
665 1 44 ILE MG 1 47 ALA MB . . 4.390 3.123 2.443 4.390 0.000 13 0 "[ . 1 . 2]" 1
666 1 44 ILE MG 1 54 TYR HB3 . . 3.930 3.831 3.573 3.934 0.004 18 0 "[ . 1 . 2]" 1
667 1 44 ILE MG 1 54 TYR QD . . 3.070 2.722 2.366 2.971 . 0 0 "[ . 1 . 2]" 1
668 1 44 ILE MG 1 54 TYR QE . . 3.700 3.632 3.365 3.711 0.011 11 0 "[ . 1 . 2]" 1
669 1 44 ILE MG 1 55 ARG H . . 4.540 4.311 3.990 4.537 . 0 0 "[ . 1 . 2]" 1
670 1 44 ILE MG 1 56 VAL HA . . 4.430 4.361 4.208 4.437 0.007 6 0 "[ . 1 . 2]" 1
671 1 45 LEU H 1 45 LEU QB . . 3.690 2.387 2.273 2.537 . 0 0 "[ . 1 . 2]" 1
672 1 45 LEU H 1 45 LEU MD2 . . 4.070 3.605 3.429 3.796 . 0 0 "[ . 1 . 2]" 1
673 1 45 LEU H 1 45 LEU HG . . 3.960 2.326 2.078 2.475 . 0 0 "[ . 1 . 2]" 1
674 1 45 LEU H 1 46 GLU H . . 3.470 2.664 2.400 2.823 . 0 0 "[ . 1 . 2]" 1
675 1 45 LEU H 1 46 GLU HA . . 5.500 4.951 4.769 5.089 . 0 0 "[ . 1 . 2]" 1
676 1 45 LEU H 1 55 ARG H . . 5.500 4.751 4.554 5.035 . 0 0 "[ . 1 . 2]" 1
677 1 45 LEU H 1 55 ARG HB3 . . 4.760 3.998 3.696 4.270 . 0 0 "[ . 1 . 2]" 1
678 1 45 LEU H 1 56 VAL HA . . 3.340 2.046 1.945 2.290 . 0 0 "[ . 1 . 2]" 1
679 1 45 LEU H 1 56 VAL HB . . 4.770 4.076 3.960 4.317 . 0 0 "[ . 1 . 2]" 1
680 1 45 LEU H 1 56 VAL MG1 . . 3.940 3.060 2.852 3.253 . 0 0 "[ . 1 . 2]" 1
681 1 45 LEU H 1 57 LYS H . . 4.320 4.167 3.979 4.323 0.003 12 0 "[ . 1 . 2]" 1
682 1 45 LEU QB 1 45 LEU MD1 . . 2.980 2.064 2.019 2.107 . 0 0 "[ . 1 . 2]" 1
683 1 45 LEU QB 1 46 GLU H . . 3.620 2.322 2.176 2.501 . 0 0 "[ . 1 . 2]" 1
684 1 45 LEU QB 1 46 GLU QB . . 4.080 3.266 3.159 3.608 . 0 0 "[ . 1 . 2]" 1
685 1 45 LEU QB 1 55 ARG HB3 . . 4.140 2.798 2.311 3.109 . 0 0 "[ . 1 . 2]" 1
686 1 45 LEU QB 1 56 VAL HA . . 3.860 3.344 3.135 3.570 . 0 0 "[ . 1 . 2]" 1
687 1 45 LEU QB 1 57 LYS H . . 4.980 4.933 4.865 4.988 0.008 12 0 "[ . 1 . 2]" 1
688 1 45 LEU MD1 1 55 ARG HD3 . . 4.640 3.166 2.062 4.267 . 0 0 "[ . 1 . 2]" 1
689 1 45 LEU MD1 1 55 ARG HG2 . . 3.890 2.044 1.829 2.277 . 0 0 "[ . 1 . 2]" 1
690 1 45 LEU MD1 1 55 ARG HG3 . . 3.870 3.086 2.216 3.649 . 0 0 "[ . 1 . 2]" 1
691 1 45 LEU MD1 1 56 VAL H . . 4.810 3.443 2.927 3.933 . 0 0 "[ . 1 . 2]" 1
692 1 45 LEU MD1 1 56 VAL HA . . 4.270 2.928 2.549 3.329 . 0 0 "[ . 1 . 2]" 1
693 1 45 LEU MD1 1 57 LYS H . . 3.750 3.338 3.002 3.606 . 0 0 "[ . 1 . 2]" 1
694 1 45 LEU MD1 1 57 LYS HA . . 4.240 2.675 2.425 3.004 . 0 0 "[ . 1 . 2]" 1
695 1 45 LEU MD1 1 57 LYS HB2 . . 3.360 2.008 1.866 2.197 . 0 0 "[ . 1 . 2]" 1
696 1 45 LEU MD1 1 57 LYS HB3 . . 3.640 3.450 3.219 3.607 . 0 0 "[ . 1 . 2]" 1
697 1 45 LEU MD1 1 64 GLU HA . . 3.620 3.014 2.723 3.285 . 0 0 "[ . 1 . 2]" 1
698 1 45 LEU MD1 1 64 GLU QB . . 3.380 2.325 2.076 2.708 . 0 0 "[ . 1 . 2]" 1
699 1 45 LEU MD1 1 64 GLU HG2 . . 3.590 1.877 1.769 2.088 . 0 0 "[ . 1 . 2]" 1
700 1 45 LEU MD1 1 64 GLU HG3 . . 4.000 3.280 3.148 3.519 . 0 0 "[ . 1 . 2]" 1
701 1 45 LEU MD2 1 57 LYS H . . 4.030 3.638 3.135 4.032 0.002 15 0 "[ . 1 . 2]" 1
702 1 45 LEU MD2 1 57 LYS HB3 . . 3.640 2.688 2.328 3.170 . 0 0 "[ . 1 . 2]" 1
703 1 45 LEU MD2 1 64 GLU HG2 . . 4.250 2.975 2.109 3.374 . 0 0 "[ . 1 . 2]" 1
704 1 45 LEU MD2 1 64 GLU HG3 . . 4.450 4.265 3.537 4.459 0.009 16 0 "[ . 1 . 2]" 1
705 1 45 LEU HG 1 56 VAL HA . . 3.390 2.269 1.996 2.502 . 0 0 "[ . 1 . 2]" 1
706 1 45 LEU HG 1 57 LYS H . . 4.180 2.977 2.878 3.159 . 0 0 "[ . 1 . 2]" 1
707 1 46 GLU H 1 46 GLU HG2 . . 4.950 4.775 4.269 5.095 0.145 20 0 "[ . 1 . 2]" 1
708 1 46 GLU H 1 47 ALA H . . 5.170 4.301 4.125 4.426 . 0 0 "[ . 1 . 2]" 1
709 1 46 GLU H 1 54 TYR QD . . 5.470 5.181 4.635 5.474 0.004 6 0 "[ . 1 . 2]" 1
710 1 46 GLU H 1 55 ARG H . . 4.230 3.626 3.407 3.883 . 0 0 "[ . 1 . 2]" 1
711 1 46 GLU H 1 55 ARG HB2 . . 4.920 4.139 3.814 4.532 . 0 0 "[ . 1 . 2]" 1
712 1 46 GLU H 1 55 ARG HB3 . . 4.130 2.454 2.064 2.882 . 0 0 "[ . 1 . 2]" 1
713 1 46 GLU H 1 56 VAL HA . . 4.470 4.319 4.149 4.415 . 0 0 "[ . 1 . 2]" 1
714 1 46 GLU HA 1 46 GLU HG2 . . 4.280 2.926 2.014 3.635 . 0 0 "[ . 1 . 2]" 1
715 1 46 GLU HA 1 47 ALA H . . 3.300 2.364 2.210 2.698 . 0 0 "[ . 1 . 2]" 1
716 1 46 GLU QB 1 47 ALA H . . 4.380 3.191 2.240 3.860 . 0 0 "[ . 1 . 2]" 1
717 1 46 GLU QB 1 55 ARG H . . 4.510 4.394 3.730 4.520 0.010 4 0 "[ . 1 . 2]" 1
718 1 46 GLU QB 1 55 ARG HD2 . . 4.910 3.943 2.894 4.854 . 0 0 "[ . 1 . 2]" 1
719 1 46 GLU QB 1 55 ARG HD3 . . 4.900 3.681 2.951 4.783 . 0 0 "[ . 1 . 2]" 1
720 1 46 GLU HG2 1 47 ALA H . . 4.760 3.442 2.033 4.655 . 0 0 "[ . 1 . 2]" 1
721 1 46 GLU HG3 1 47 ALA H . . 4.850 3.509 2.224 4.787 . 0 0 "[ . 1 . 2]" 1
722 1 47 ALA H 1 47 ALA MB . . 3.440 2.162 2.017 2.327 . 0 0 "[ . 1 . 2]" 1
723 1 47 ALA HA 1 48 CYS H . . 3.510 2.274 2.186 2.500 . 0 0 "[ . 1 . 2]" 1
724 1 47 ALA HA 1 54 TYR QD . . 3.590 3.003 2.306 3.530 . 0 0 "[ . 1 . 2]" 1
725 1 47 ALA HA 1 54 TYR QE . . 4.050 3.409 2.375 4.051 0.001 5 0 "[ . 1 . 2]" 1
726 1 47 ALA HA 1 55 ARG H . . 4.810 4.121 3.118 4.804 . 0 0 "[ . 1 . 2]" 1
727 1 47 ALA MB 1 48 CYS H . . 4.160 3.073 2.433 3.497 . 0 0 "[ . 1 . 2]" 1
728 1 47 ALA MB 1 48 CYS HB2 . . 4.950 4.424 3.288 5.469 0.519 1 1 "[+ . 1 . 2]" 1
729 1 48 CYS H 1 48 CYS HB3 . . 4.040 3.428 2.403 4.115 0.075 20 0 "[ . 1 . 2]" 1
730 1 48 CYS H 1 54 TYR HA . . 3.990 3.850 3.249 3.999 0.009 6 0 "[ . 1 . 2]" 1
731 1 48 CYS H 1 54 TYR QD . . 4.880 3.866 2.971 4.703 . 0 0 "[ . 1 . 2]" 1
732 1 48 CYS H 1 55 ARG H . . 4.950 4.624 4.085 4.958 0.008 19 0 "[ . 1 . 2]" 1
733 1 49 GLU HA 1 49 GLU HG3 . . 3.860 2.596 1.999 3.545 . 0 0 "[ . 1 . 2]" 1
734 1 50 ASN H 1 51 LYS HA . . 5.050 4.286 3.735 5.067 0.017 3 0 "[ . 1 . 2]" 1
735 1 50 ASN H 1 51 LYS QG . . 4.320 4.150 3.473 4.350 0.030 16 0 "[ . 1 . 2]" 1
736 1 50 ASN HB2 1 53 TRP HD1 . . 4.680 4.140 2.605 4.693 0.013 20 0 "[ . 1 . 2]" 1
737 1 50 ASN HB3 1 53 TRP HD1 . . 4.030 3.284 2.054 4.683 0.653 17 1 "[ . 1 . + 2]" 1
738 1 51 LYS HA 1 51 LYS HD2 . . 4.890 4.176 2.585 4.974 0.084 17 0 "[ . 1 . 2]" 1
739 1 51 LYS HA 1 51 LYS HD3 . . 4.940 3.946 2.574 4.905 . 0 0 "[ . 1 . 2]" 1
740 1 51 LYS HA 1 53 TRP H . . 4.970 4.405 3.605 4.993 0.023 18 0 "[ . 1 . 2]" 1
741 1 51 LYS HB2 1 51 LYS HE2 . . 4.960 4.301 2.994 5.176 0.216 7 0 "[ . 1 . 2]" 1
742 1 51 LYS HE2 1 51 LYS QG . . 3.410 2.496 1.978 3.296 . 0 0 "[ . 1 . 2]" 1
743 1 52 SER HA 1 69 ALA H . . 4.880 3.883 3.015 4.896 0.016 13 0 "[ . 1 . 2]" 1
744 1 52 SER HA 1 69 ALA MB . . 3.710 2.264 1.885 3.137 . 0 0 "[ . 1 . 2]" 1
745 1 52 SER QB 1 53 TRP H . . 4.500 3.911 2.956 4.074 . 0 0 "[ . 1 . 2]" 1
746 1 52 SER QB 1 53 TRP HD1 . . 3.860 3.304 2.467 3.886 0.026 17 0 "[ . 1 . 2]" 1
747 1 52 SER QB 1 53 TRP HE1 . . 4.690 4.066 3.607 4.514 . 0 0 "[ . 1 . 2]" 1
748 1 52 SER QB 1 69 ALA MB . . 3.720 3.122 2.094 3.724 0.004 8 0 "[ . 1 . 2]" 1
749 1 53 TRP H 1 53 TRP HB2 . . 3.730 2.827 2.535 2.996 . 0 0 "[ . 1 . 2]" 1
750 1 53 TRP H 1 53 TRP HB3 . . 4.090 3.825 3.680 3.923 . 0 0 "[ . 1 . 2]" 1
751 1 53 TRP H 1 53 TRP HD1 . . 4.470 3.848 3.007 4.396 . 0 0 "[ . 1 . 2]" 1
752 1 53 TRP H 1 54 TYR H . . 5.150 4.309 4.077 4.459 . 0 0 "[ . 1 . 2]" 1
753 1 53 TRP H 1 69 ALA MB . . 4.730 2.803 2.240 3.500 . 0 0 "[ . 1 . 2]" 1
754 1 53 TRP HA 1 53 TRP HD1 . . 4.900 4.007 3.510 4.269 . 0 0 "[ . 1 . 2]" 1
755 1 53 TRP HA 1 53 TRP HE3 . . 4.070 3.147 2.631 3.967 . 0 0 "[ . 1 . 2]" 1
756 1 53 TRP HA 1 54 TYR H . . 3.310 2.382 2.235 2.602 . 0 0 "[ . 1 . 2]" 1
757 1 53 TRP HA 1 54 TYR QD . . 4.890 3.664 3.265 4.181 . 0 0 "[ . 1 . 2]" 1
758 1 53 TRP HA 1 68 ALA HA . . 3.630 2.838 2.509 3.122 . 0 0 "[ . 1 . 2]" 1
759 1 53 TRP HA 1 68 ALA MB . . 4.630 4.436 4.164 4.652 0.022 18 0 "[ . 1 . 2]" 1
760 1 53 TRP HA 1 69 ALA H . . 3.840 2.371 1.976 2.713 . 0 0 "[ . 1 . 2]" 1
761 1 53 TRP HA 1 69 ALA HA . . 4.850 4.090 3.761 4.369 . 0 0 "[ . 1 . 2]" 1
762 1 53 TRP HA 1 69 ALA MB . . 4.220 2.948 2.537 3.218 . 0 0 "[ . 1 . 2]" 1
763 1 53 TRP HB2 1 53 TRP HD1 . . 3.840 2.741 2.632 2.993 . 0 0 "[ . 1 . 2]" 1
764 1 53 TRP HB2 1 54 TYR H . . 4.450 4.001 3.570 4.387 . 0 0 "[ . 1 . 2]" 1
765 1 53 TRP HB2 1 66 LEU QD . . 4.190 3.433 2.416 3.890 . 0 0 "[ . 1 . 2]" 1
766 1 53 TRP HB2 1 69 ALA MB . . 4.850 4.780 4.578 4.859 0.009 18 0 "[ . 1 . 2]" 1
767 1 53 TRP HB3 1 53 TRP HE3 . . 3.810 2.545 2.333 2.730 . 0 0 "[ . 1 . 2]" 1
768 1 53 TRP HB3 1 54 TYR H . . 4.130 2.790 2.244 3.331 . 0 0 "[ . 1 . 2]" 1
769 1 53 TRP HB3 1 66 LEU QD . . 3.810 2.672 2.177 3.043 . 0 0 "[ . 1 . 2]" 1
770 1 53 TRP HB3 1 67 LEU H . . 5.330 3.563 2.518 4.327 . 0 0 "[ . 1 . 2]" 1
771 1 53 TRP HB3 1 68 ALA HA . . 4.870 4.593 3.879 4.872 0.002 1 0 "[ . 1 . 2]" 1
772 1 53 TRP HE3 1 54 TYR H . . 4.470 3.079 2.673 3.762 . 0 0 "[ . 1 . 2]" 1
773 1 53 TRP HE3 1 66 LEU HA . . 4.720 3.825 3.565 4.010 . 0 0 "[ . 1 . 2]" 1
774 1 53 TRP HE3 1 66 LEU QB . . 3.570 2.222 1.937 2.515 . 0 0 "[ . 1 . 2]" 1
775 1 53 TRP HE3 1 66 LEU QD . . 4.310 3.500 3.064 3.799 . 0 0 "[ . 1 . 2]" 1
776 1 53 TRP HE3 1 67 LEU H . . 4.060 2.606 2.194 3.094 . 0 0 "[ . 1 . 2]" 1
777 1 53 TRP HE3 1 67 LEU HA . . 4.560 3.272 2.857 3.628 . 0 0 "[ . 1 . 2]" 1
778 1 53 TRP HE3 1 68 ALA H . . 5.120 3.900 3.564 4.403 . 0 0 "[ . 1 . 2]" 1
779 1 53 TRP HE3 1 68 ALA HA . . 4.180 3.422 3.041 3.886 . 0 0 "[ . 1 . 2]" 1
780 1 53 TRP HE3 1 68 ALA MB . . 4.860 4.377 4.043 4.622 . 0 0 "[ . 1 . 2]" 1
781 1 53 TRP HH2 1 68 ALA MB . . 4.310 3.747 3.448 4.117 . 0 0 "[ . 1 . 2]" 1
782 1 53 TRP HZ2 1 68 ALA HA . . 4.950 4.881 4.589 4.956 0.006 4 0 "[ . 1 . 2]" 1
783 1 53 TRP HZ2 1 68 ALA MB . . 4.710 4.121 3.772 4.322 . 0 0 "[ . 1 . 2]" 1
784 1 53 TRP HZ3 1 66 LEU QB . . 4.570 3.326 2.912 3.684 . 0 0 "[ . 1 . 2]" 1
785 1 53 TRP HZ3 1 67 LEU HA . . 4.060 2.792 2.196 3.187 . 0 0 "[ . 1 . 2]" 1
786 1 53 TRP HZ3 1 68 ALA H . . 4.330 3.328 2.907 4.039 . 0 0 "[ . 1 . 2]" 1
787 1 53 TRP HZ3 1 68 ALA HA . . 4.950 4.033 3.555 4.619 . 0 0 "[ . 1 . 2]" 1
788 1 53 TRP HZ3 1 68 ALA MB . . 4.220 3.811 3.391 4.241 0.021 20 0 "[ . 1 . 2]" 1
789 1 54 TYR H 1 54 TYR HB2 . . 3.740 2.489 2.270 2.619 . 0 0 "[ . 1 . 2]" 1
790 1 54 TYR H 1 54 TYR QD . . 3.990 3.541 3.176 3.918 . 0 0 "[ . 1 . 2]" 1
791 1 54 TYR H 1 56 VAL MG1 . . 5.270 4.619 4.339 4.783 . 0 0 "[ . 1 . 2]" 1
792 1 54 TYR H 1 66 LEU HA . . 4.690 4.041 3.762 4.412 . 0 0 "[ . 1 . 2]" 1
793 1 54 TYR H 1 66 LEU QD . . 4.450 3.661 3.111 4.032 . 0 0 "[ . 1 . 2]" 1
794 1 54 TYR H 1 67 LEU H . . 4.190 2.235 1.899 2.610 . 0 0 "[ . 1 . 2]" 1
795 1 54 TYR H 1 67 LEU HA . . 5.500 4.372 4.215 4.561 . 0 0 "[ . 1 . 2]" 1
796 1 54 TYR H 1 67 LEU MD1 . . 5.380 5.337 5.083 5.391 0.011 15 0 "[ . 1 . 2]" 1
797 1 54 TYR H 1 68 ALA H . . 5.440 4.869 4.686 5.024 . 0 0 "[ . 1 . 2]" 1
798 1 54 TYR H 1 68 ALA HA . . 4.730 4.197 3.909 4.559 . 0 0 "[ . 1 . 2]" 1
799 1 54 TYR H 1 69 ALA H . . 5.030 4.107 3.610 4.536 . 0 0 "[ . 1 . 2]" 1
800 1 54 TYR H 1 69 ALA MB . . 5.500 4.127 3.786 4.333 . 0 0 "[ . 1 . 2]" 1
801 1 54 TYR HA 1 54 TYR QD . . 3.940 2.862 2.490 3.067 . 0 0 "[ . 1 . 2]" 1
802 1 54 TYR HA 1 55 ARG H . . 3.300 2.223 2.189 2.350 . 0 0 "[ . 1 . 2]" 1
803 1 54 TYR HA 1 69 ALA MB . . 5.080 4.860 4.625 5.059 . 0 0 "[ . 1 . 2]" 1
804 1 54 TYR HB2 1 55 ARG H . . 4.470 4.416 4.135 4.520 0.050 20 0 "[ . 1 . 2]" 1
805 1 54 TYR HB2 1 56 VAL MG1 . . 3.490 3.431 3.326 3.503 0.013 11 0 "[ . 1 . 2]" 1
806 1 54 TYR HB2 1 67 LEU H . . 5.360 3.850 3.595 4.205 . 0 0 "[ . 1 . 2]" 1
807 1 54 TYR HB2 1 67 LEU MD1 . . 4.650 4.621 4.380 4.658 0.008 12 0 "[ . 1 . 2]" 1
808 1 54 TYR HB2 1 72 LEU MD1 . . 4.350 2.272 2.079 2.418 . 0 0 "[ . 1 . 2]" 1
809 1 54 TYR HB3 1 55 ARG H . . 3.740 3.407 2.897 3.616 . 0 0 "[ . 1 . 2]" 1
810 1 54 TYR HB3 1 56 VAL MG1 . . 3.490 2.612 2.487 2.783 . 0 0 "[ . 1 . 2]" 1
811 1 54 TYR HB3 1 67 LEU MD1 . . 4.920 4.831 4.615 4.922 0.002 20 0 "[ . 1 . 2]" 1
812 1 54 TYR HB3 1 72 LEU MD1 . . 4.710 3.004 2.733 3.159 . 0 0 "[ . 1 . 2]" 1
813 1 54 TYR QD 1 55 ARG H . . 4.570 3.685 3.131 3.998 . 0 0 "[ . 1 . 2]" 1
814 1 54 TYR QD 1 56 VAL MG1 . . 4.240 3.959 3.712 4.159 . 0 0 "[ . 1 . 2]" 1
815 1 54 TYR QD 1 69 ALA H . . 4.970 3.567 3.300 4.039 . 0 0 "[ . 1 . 2]" 1
816 1 54 TYR QD 1 69 ALA HA . . 3.170 2.036 1.994 2.199 . 0 0 "[ . 1 . 2]" 1
817 1 54 TYR QD 1 69 ALA MB . . 2.930 2.070 1.927 2.316 . 0 0 "[ . 1 . 2]" 1
818 1 54 TYR QD 1 72 LEU MD1 . . 3.550 2.821 2.574 3.033 . 0 0 "[ . 1 . 2]" 1
819 1 54 TYR QE 1 69 ALA HA . . 3.610 3.413 3.167 3.594 . 0 0 "[ . 1 . 2]" 1
820 1 54 TYR QE 1 69 ALA MB . . 2.950 1.977 1.897 2.187 . 0 0 "[ . 1 . 2]" 1
821 1 54 TYR QE 1 72 LEU MD1 . . 4.280 4.258 4.007 4.289 0.009 12 0 "[ . 1 . 2]" 1
822 1 55 ARG H 1 55 ARG HB2 . . 4.040 2.595 2.443 2.777 . 0 0 "[ . 1 . 2]" 1
823 1 55 ARG H 1 55 ARG HB3 . . 3.690 2.542 2.458 2.821 . 0 0 "[ . 1 . 2]" 1
824 1 55 ARG H 1 55 ARG HG3 . . 4.570 4.454 4.387 4.612 0.042 1 0 "[ . 1 . 2]" 1
825 1 55 ARG H 1 56 VAL H . . 5.490 4.367 4.300 4.430 . 0 0 "[ . 1 . 2]" 1
826 1 55 ARG H 1 56 VAL MG1 . . 4.380 3.907 3.712 4.099 . 0 0 "[ . 1 . 2]" 1
827 1 55 ARG HA 1 55 ARG HG2 . . 3.940 3.125 2.518 3.602 . 0 0 "[ . 1 . 2]" 1
828 1 55 ARG HA 1 55 ARG HG3 . . 4.100 2.486 2.278 2.816 . 0 0 "[ . 1 . 2]" 1
829 1 55 ARG HA 1 56 VAL H . . 3.240 2.231 2.226 2.237 . 0 0 "[ . 1 . 2]" 1
830 1 55 ARG HA 1 56 VAL MG1 . . 4.090 3.686 3.599 3.821 . 0 0 "[ . 1 . 2]" 1
831 1 55 ARG HA 1 56 VAL MG2 . . 4.020 3.980 3.910 4.015 . 0 0 "[ . 1 . 2]" 1
832 1 55 ARG HA 1 66 LEU HA . . 3.640 2.442 2.182 2.744 . 0 0 "[ . 1 . 2]" 1
833 1 55 ARG HA 1 66 LEU QD . . 3.570 2.674 2.233 2.964 . 0 0 "[ . 1 . 2]" 1
834 1 55 ARG HA 1 67 LEU H . . 4.500 3.486 3.084 3.877 . 0 0 "[ . 1 . 2]" 1
835 1 55 ARG HB2 1 56 VAL H . . 4.520 4.537 4.517 4.586 0.066 11 0 "[ . 1 . 2]" 1
836 1 55 ARG HB2 1 66 LEU QD . . 4.090 2.334 1.990 2.739 . 0 0 "[ . 1 . 2]" 1
837 1 55 ARG HB3 1 55 ARG HD2 . . 4.020 2.914 2.265 3.765 . 0 0 "[ . 1 . 2]" 1
838 1 55 ARG HB3 1 55 ARG HD3 . . 4.180 2.966 2.279 3.630 . 0 0 "[ . 1 . 2]" 1
839 1 55 ARG HB3 1 66 LEU QD . . 4.330 3.762 3.439 4.142 . 0 0 "[ . 1 . 2]" 1
840 1 55 ARG HD2 1 66 LEU QD . . 4.590 3.326 2.312 4.311 . 0 0 "[ . 1 . 2]" 1
841 1 55 ARG HG2 1 56 VAL H . . 4.380 3.640 2.929 4.332 . 0 0 "[ . 1 . 2]" 1
842 1 55 ARG HG3 1 56 VAL H . . 4.210 3.538 3.018 4.157 . 0 0 "[ . 1 . 2]" 1
843 1 56 VAL H 1 56 VAL MG1 . . 3.830 2.698 2.549 2.823 . 0 0 "[ . 1 . 2]" 1
844 1 56 VAL H 1 56 VAL MG2 . . 3.420 2.208 2.063 2.300 . 0 0 "[ . 1 . 2]" 1
845 1 56 VAL H 1 64 GLU HA . . 5.110 4.870 4.588 5.110 . 0 0 "[ . 1 . 2]" 1
846 1 56 VAL H 1 65 GLY H . . 3.750 3.672 3.478 3.753 0.003 12 0 "[ . 1 . 2]" 1
847 1 56 VAL H 1 66 LEU HA . . 4.580 3.809 3.531 3.966 . 0 0 "[ . 1 . 2]" 1
848 1 56 VAL H 1 66 LEU QD . . 4.710 4.485 4.125 4.635 . 0 0 "[ . 1 . 2]" 1
849 1 56 VAL H 1 67 LEU H . . 5.470 4.303 3.778 4.613 . 0 0 "[ . 1 . 2]" 1
850 1 56 VAL HA 1 56 VAL MG1 . . 3.180 2.385 2.320 2.438 . 0 0 "[ . 1 . 2]" 1
851 1 56 VAL HA 1 57 LYS H . . 3.190 2.587 2.522 2.632 . 0 0 "[ . 1 . 2]" 1
852 1 56 VAL HB 1 57 LYS H . . 3.280 2.342 2.283 2.433 . 0 0 "[ . 1 . 2]" 1
853 1 56 VAL HB 1 67 LEU MD1 . . 4.580 3.883 3.684 4.231 . 0 0 "[ . 1 . 2]" 1
854 1 56 VAL MG1 1 57 LYS H . . 3.850 3.850 3.822 3.871 0.021 12 0 "[ . 1 . 2]" 1
855 1 56 VAL MG1 1 67 LEU H . . 4.700 4.317 3.858 4.583 . 0 0 "[ . 1 . 2]" 1
856 1 56 VAL MG1 1 67 LEU HB2 . . 3.800 2.969 2.748 3.518 . 0 0 "[ . 1 . 2]" 1
857 1 56 VAL MG1 1 67 LEU HB3 . . 3.770 3.423 2.994 3.757 . 0 0 "[ . 1 . 2]" 1
858 1 56 VAL MG1 1 67 LEU MD1 . . 3.500 2.678 2.487 2.950 . 0 0 "[ . 1 . 2]" 1
859 1 56 VAL MG2 1 57 LYS H . . 3.790 2.973 2.797 3.184 . 0 0 "[ . 1 . 2]" 1
860 1 56 VAL MG2 1 58 HIS HA . . 4.710 4.026 3.913 4.206 . 0 0 "[ . 1 . 2]" 1
861 1 56 VAL MG2 1 58 HIS HB2 . . 4.450 4.358 4.214 4.483 0.033 12 0 "[ . 1 . 2]" 1
862 1 56 VAL MG2 1 64 GLU HA . . 4.720 4.630 4.506 4.719 . 0 0 "[ . 1 . 2]" 1
863 1 56 VAL MG2 1 65 GLY H . . 4.090 3.911 3.782 4.043 . 0 0 "[ . 1 . 2]" 1
864 1 57 LYS H 1 57 LYS HB2 . . 3.550 3.041 2.841 3.172 . 0 0 "[ . 1 . 2]" 1
865 1 57 LYS H 1 57 LYS HB3 . . 3.560 2.637 2.527 2.740 . 0 0 "[ . 1 . 2]" 1
866 1 57 LYS H 1 57 LYS QG . . 4.300 4.081 4.048 4.135 . 0 0 "[ . 1 . 2]" 1
867 1 57 LYS H 1 58 HIS H . . 5.040 4.334 4.287 4.422 . 0 0 "[ . 1 . 2]" 1
868 1 57 LYS HA 1 57 LYS QG . . 3.530 2.401 2.322 2.442 . 0 0 "[ . 1 . 2]" 1
869 1 57 LYS HA 1 58 HIS H . . 3.180 2.186 2.181 2.198 . 0 0 "[ . 1 . 2]" 1
870 1 57 LYS HA 1 58 HIS HB2 . . 4.890 4.230 4.184 4.310 . 0 0 "[ . 1 . 2]" 1
871 1 57 LYS HA 1 64 GLU HA . . 3.320 2.592 2.418 2.802 . 0 0 "[ . 1 . 2]" 1
872 1 57 LYS HA 1 64 GLU QB . . 4.570 4.069 3.845 4.259 . 0 0 "[ . 1 . 2]" 1
873 1 57 LYS HA 1 64 GLU HG2 . . 4.090 2.962 2.372 3.391 . 0 0 "[ . 1 . 2]" 1
874 1 57 LYS HA 1 64 GLU HG3 . . 4.320 3.589 2.930 4.139 . 0 0 "[ . 1 . 2]" 1
875 1 57 LYS HA 1 65 GLY H . . 4.180 3.885 3.624 4.085 . 0 0 "[ . 1 . 2]" 1
876 1 57 LYS HB2 1 58 HIS H . . 4.360 4.351 4.299 4.378 0.018 15 0 "[ . 1 . 2]" 1
877 1 57 LYS HB2 1 64 GLU HA . . 4.380 4.127 3.895 4.392 0.012 18 0 "[ . 1 . 2]" 1
878 1 57 LYS HB2 1 64 GLU HG2 . . 3.880 2.473 2.005 2.856 . 0 0 "[ . 1 . 2]" 1
879 1 57 LYS HB2 1 64 GLU HG3 . . 4.200 3.717 3.123 4.146 . 0 0 "[ . 1 . 2]" 1
880 1 57 LYS HB3 1 58 HIS H . . 4.680 4.310 4.178 4.396 . 0 0 "[ . 1 . 2]" 1
881 1 57 LYS QD 1 58 HIS H . . 4.810 4.546 3.847 4.812 0.002 4 0 "[ . 1 . 2]" 1
882 1 57 LYS QD 1 62 GLY HA2 . . 4.350 4.005 3.569 4.284 . 0 0 "[ . 1 . 2]" 1
883 1 57 LYS QE 1 57 LYS QG . . 3.200 2.129 1.953 2.269 . 0 0 "[ . 1 . 2]" 1
884 1 57 LYS QE 1 62 GLY H . . 4.760 4.015 3.685 4.330 . 0 0 "[ . 1 . 2]" 1
885 1 57 LYS QE 1 62 GLY HA2 . . 3.590 2.139 1.973 2.471 . 0 0 "[ . 1 . 2]" 1
886 1 57 LYS QE 1 62 GLY HA3 . . 3.770 3.374 3.169 3.643 . 0 0 "[ . 1 . 2]" 1
887 1 57 LYS QG 1 58 HIS H . . 3.860 2.600 2.475 2.685 . 0 0 "[ . 1 . 2]" 1
888 1 57 LYS QG 1 62 GLY H . . 5.360 4.075 3.962 4.430 . 0 0 "[ . 1 . 2]" 1
889 1 57 LYS QG 1 62 GLY HA2 . . 4.160 3.231 3.126 3.330 . 0 0 "[ . 1 . 2]" 1
890 1 57 LYS QG 1 62 GLY HA3 . . 4.640 4.613 4.527 4.658 0.018 12 0 "[ . 1 . 2]" 1
891 1 57 LYS QG 1 63 GLN H . . 5.440 3.869 3.472 4.124 . 0 0 "[ . 1 . 2]" 1
892 1 57 LYS QG 1 64 GLU HA . . 4.750 3.634 3.338 3.960 . 0 0 "[ . 1 . 2]" 1
893 1 57 LYS QG 1 64 GLU HG2 . . 4.020 2.365 1.989 2.794 . 0 0 "[ . 1 . 2]" 1
894 1 57 LYS QG 1 64 GLU HG3 . . 4.180 2.362 1.981 3.184 . 0 0 "[ . 1 . 2]" 1
895 1 58 HIS H 1 58 HIS HB2 . . 3.610 2.247 2.169 2.353 . 0 0 "[ . 1 . 2]" 1
896 1 58 HIS H 1 58 HIS HB3 . . 3.560 2.756 2.632 2.818 . 0 0 "[ . 1 . 2]" 1
897 1 58 HIS H 1 59 HIS H . . 5.200 4.535 4.502 4.637 . 0 0 "[ . 1 . 2]" 1
898 1 58 HIS H 1 62 GLY H . . 4.860 3.740 3.511 4.061 . 0 0 "[ . 1 . 2]" 1
899 1 58 HIS H 1 63 GLN H . . 4.640 3.313 2.963 3.566 . 0 0 "[ . 1 . 2]" 1
900 1 58 HIS H 1 64 GLU HA . . 4.070 3.514 3.279 3.796 . 0 0 "[ . 1 . 2]" 1
901 1 58 HIS H 1 64 GLU HG2 . . 5.040 4.636 4.046 5.028 . 0 0 "[ . 1 . 2]" 1
902 1 58 HIS H 1 65 GLY H . . 5.240 4.572 4.253 4.710 . 0 0 "[ . 1 . 2]" 1
903 1 58 HIS HA 1 58 HIS HD2 . . 4.110 3.544 2.922 3.812 . 0 0 "[ . 1 . 2]" 1
904 1 58 HIS HA 1 59 HIS H . . 3.260 2.196 2.186 2.269 . 0 0 "[ . 1 . 2]" 1
905 1 58 HIS HB2 1 58 HIS HD2 . . 3.620 2.779 2.725 2.981 . 0 0 "[ . 1 . 2]" 1
906 1 58 HIS HB2 1 59 HIS H . . 4.920 4.498 4.344 4.555 . 0 0 "[ . 1 . 2]" 1
907 1 58 HIS HB2 1 62 GLY H . . 4.510 3.726 3.551 4.113 . 0 0 "[ . 1 . 2]" 1
908 1 58 HIS HB2 1 63 GLN H . . 4.330 3.529 3.323 4.021 . 0 0 "[ . 1 . 2]" 1
909 1 58 HIS HB2 1 63 GLN HB2 . . 4.910 4.086 3.846 4.410 . 0 0 "[ . 1 . 2]" 1
910 1 58 HIS HB3 1 59 HIS H . . 5.040 4.099 3.784 4.188 . 0 0 "[ . 1 . 2]" 1
911 1 58 HIS HB3 1 61 SER H . . 5.380 3.129 2.811 3.454 . 0 0 "[ . 1 . 2]" 1
912 1 58 HIS HB3 1 62 GLY H . . 4.350 2.074 1.948 2.430 . 0 0 "[ . 1 . 2]" 1
913 1 58 HIS HB3 1 63 GLN H . . 3.900 2.519 2.364 2.752 . 0 0 "[ . 1 . 2]" 1
914 1 58 HIS HB3 1 63 GLN HB2 . . 4.670 4.054 3.792 4.271 . 0 0 "[ . 1 . 2]" 1
915 1 58 HIS HE1 1 60 THR HB . . 3.300 2.215 1.992 2.737 . 0 0 "[ . 1 . 2]" 1
916 1 58 HIS HE1 1 60 THR MG . . 4.060 3.384 2.653 4.003 . 0 0 "[ . 1 . 2]" 1
917 1 58 HIS HE1 1 61 SER H . . 4.300 3.113 2.835 3.372 . 0 0 "[ . 1 . 2]" 1
918 1 58 HIS HE1 1 61 SER QB . . 4.490 3.844 3.764 4.326 . 0 0 "[ . 1 . 2]" 1
919 1 59 HIS H 1 59 HIS QB . . 3.430 2.086 1.980 2.191 . 0 0 "[ . 1 . 2]" 1
920 1 59 HIS H 1 60 THR H . . 4.430 2.981 2.450 3.202 . 0 0 "[ . 1 . 2]" 1
921 1 59 HIS H 1 61 SER H . . 4.790 4.454 4.218 4.520 . 0 0 "[ . 1 . 2]" 1
922 1 59 HIS QB 1 60 THR H . . 4.550 2.182 1.930 2.638 . 0 0 "[ . 1 . 2]" 1
923 1 59 HIS QB 1 60 THR HA . . 4.650 3.953 3.658 4.410 . 0 0 "[ . 1 . 2]" 1
924 1 60 THR H 1 60 THR HB . . 3.930 2.349 2.198 2.541 . 0 0 "[ . 1 . 2]" 1
925 1 60 THR H 1 60 THR HG1 . . 5.330 2.835 2.029 3.459 . 0 0 "[ . 1 . 2]" 1
926 1 60 THR H 1 60 THR MG . . 4.600 3.671 3.650 3.685 . 0 0 "[ . 1 . 2]" 1
927 1 60 THR H 1 61 SER H . . 4.580 3.080 2.882 3.204 . 0 0 "[ . 1 . 2]" 1
928 1 60 THR HA 1 60 THR MG . . 3.220 2.481 2.345 2.587 . 0 0 "[ . 1 . 2]" 1
929 1 60 THR HB 1 61 SER H . . 3.890 2.327 2.239 2.452 . 0 0 "[ . 1 . 2]" 1
930 1 60 THR MG 1 61 SER H . . 4.640 2.994 2.725 3.181 . 0 0 "[ . 1 . 2]" 1
931 1 60 THR MG 1 61 SER HA . . 4.350 3.318 3.075 3.572 . 0 0 "[ . 1 . 2]" 1
932 1 61 SER H 1 62 GLY H . . 3.550 3.014 2.859 3.176 . 0 0 "[ . 1 . 2]" 1
933 1 61 SER H 1 63 GLN H . . 4.790 4.642 4.459 4.788 . 0 0 "[ . 1 . 2]" 1
934 1 61 SER H 1 63 GLN HE21 . . 4.750 4.749 4.581 4.791 0.041 8 0 "[ . 1 . 2]" 1
935 1 61 SER HA 1 63 GLN H . . 4.940 4.550 4.332 4.909 . 0 0 "[ . 1 . 2]" 1
936 1 61 SER QB 1 62 GLY H . . 5.000 2.317 1.968 2.792 . 0 0 "[ . 1 . 2]" 1
937 1 61 SER QB 1 62 GLY HA3 . . 4.610 4.189 4.074 4.333 . 0 0 "[ . 1 . 2]" 1
938 1 61 SER QB 1 63 GLN H . . 4.380 2.175 1.968 3.007 . 0 0 "[ . 1 . 2]" 1
939 1 61 SER QB 1 63 GLN HE21 . . 4.050 2.052 1.923 2.356 . 0 0 "[ . 1 . 2]" 1
940 1 61 SER QB 1 63 GLN QG . . 3.760 2.333 1.990 2.634 . 0 0 "[ . 1 . 2]" 1
941 1 62 GLY H 1 63 GLN HB2 . . 5.420 4.654 4.179 4.883 . 0 0 "[ . 1 . 2]" 1
942 1 62 GLY H 1 63 GLN HE21 . . 5.070 4.205 3.327 4.564 . 0 0 "[ . 1 . 2]" 1
943 1 62 GLY H 1 63 GLN QG . . 5.290 3.630 3.326 3.853 . 0 0 "[ . 1 . 2]" 1
944 1 63 GLN H 1 63 GLN HB2 . . 3.410 2.672 2.500 2.759 . 0 0 "[ . 1 . 2]" 1
945 1 63 GLN H 1 63 GLN HB3 . . 3.870 3.676 3.626 3.757 . 0 0 "[ . 1 . 2]" 1
946 1 63 GLN H 1 63 GLN HE21 . . 4.480 3.419 2.733 3.825 . 0 0 "[ . 1 . 2]" 1
947 1 63 GLN H 1 63 GLN QG . . 3.500 2.218 1.996 2.592 . 0 0 "[ . 1 . 2]" 1
948 1 63 GLN H 1 64 GLU H . . 5.310 4.491 4.452 4.534 . 0 0 "[ . 1 . 2]" 1
949 1 63 GLN HA 1 63 GLN QG . . 3.350 2.607 2.451 3.261 . 0 0 "[ . 1 . 2]" 1
950 1 63 GLN HA 1 64 GLU H . . 2.880 2.671 2.604 2.707 . 0 0 "[ . 1 . 2]" 1
951 1 63 GLN HB2 1 64 GLU H . . 4.070 3.088 2.889 3.297 . 0 0 "[ . 1 . 2]" 1
952 1 63 GLN HB3 1 64 GLU H . . 3.620 2.254 2.079 2.361 . 0 0 "[ . 1 . 2]" 1
953 1 63 GLN QG 1 64 GLU H . . 4.270 4.045 3.804 4.228 . 0 0 "[ . 1 . 2]" 1
954 1 64 GLU H 1 64 GLU QB . . 3.430 2.673 2.602 2.779 . 0 0 "[ . 1 . 2]" 1
955 1 64 GLU H 1 64 GLU HG3 . . 3.820 3.088 2.736 3.333 . 0 0 "[ . 1 . 2]" 1
956 1 64 GLU HA 1 64 GLU HG2 . . 3.690 2.700 2.399 3.106 . 0 0 "[ . 1 . 2]" 1
957 1 64 GLU HA 1 64 GLU HG3 . . 3.970 2.778 2.420 3.036 . 0 0 "[ . 1 . 2]" 1
958 1 64 GLU HA 1 65 GLY H . . 2.980 2.206 2.202 2.225 . 0 0 "[ . 1 . 2]" 1
959 1 64 GLU QB 1 65 GLY H . . 3.790 3.412 3.215 3.539 . 0 0 "[ . 1 . 2]" 1
960 1 64 GLU HG2 1 65 GLY H . . 4.740 4.602 4.351 4.751 0.011 12 0 "[ . 1 . 2]" 1
961 1 64 GLU HG3 1 65 GLY H . . 5.140 4.935 4.569 5.142 0.002 10 0 "[ . 1 . 2]" 1
962 1 65 GLY HA2 1 66 LEU H . . 3.530 2.512 2.384 2.599 . 0 0 "[ . 1 . 2]" 1
963 1 65 GLY HA2 1 66 LEU QD . . 4.840 4.072 2.782 4.522 . 0 0 "[ . 1 . 2]" 1
964 1 65 GLY HA3 1 66 LEU H . . 3.590 2.736 2.639 2.890 . 0 0 "[ . 1 . 2]" 1
965 1 66 LEU H 1 66 LEU QB . . 3.280 2.300 2.139 2.410 . 0 0 "[ . 1 . 2]" 1
966 1 66 LEU H 1 66 LEU QD . . 4.210 3.039 1.842 3.396 . 0 0 "[ . 1 . 2]" 1
967 1 66 LEU H 1 66 LEU HG . . 3.700 2.784 2.285 3.829 0.129 18 0 "[ . 1 . 2]" 1
968 1 66 LEU H 1 67 LEU H . . 5.310 4.611 4.496 4.660 . 0 0 "[ . 1 . 2]" 1
969 1 66 LEU HA 1 66 LEU QD . . 3.230 2.070 1.937 2.392 . 0 0 "[ . 1 . 2]" 1
970 1 66 LEU HA 1 67 LEU H . . 3.200 2.315 2.186 2.446 . 0 0 "[ . 1 . 2]" 1
971 1 66 LEU QB 1 67 LEU H . . 4.030 2.844 2.525 3.283 . 0 0 "[ . 1 . 2]" 1
972 1 66 LEU QD 1 67 LEU H . . 4.120 3.251 2.776 3.616 . 0 0 "[ . 1 . 2]" 1
973 1 67 LEU H 1 67 LEU HB2 . . 4.180 2.627 2.311 2.950 . 0 0 "[ . 1 . 2]" 1
974 1 67 LEU H 1 67 LEU HB3 . . 4.160 3.210 2.995 3.363 . 0 0 "[ . 1 . 2]" 1
975 1 67 LEU H 1 67 LEU MD1 . . 4.790 4.440 4.148 4.663 . 0 0 "[ . 1 . 2]" 1
976 1 67 LEU HA 1 67 LEU MD1 . . 4.370 3.723 3.646 3.801 . 0 0 "[ . 1 . 2]" 1
977 1 67 LEU HA 1 67 LEU MD2 . . 4.040 2.464 2.126 2.756 . 0 0 "[ . 1 . 2]" 1
978 1 67 LEU HA 1 67 LEU HG . . 3.840 2.350 2.220 2.532 . 0 0 "[ . 1 . 2]" 1
979 1 67 LEU HA 1 68 ALA H . . 3.410 2.297 2.209 2.416 . 0 0 "[ . 1 . 2]" 1
980 1 67 LEU HA 1 68 ALA MB . . 4.270 3.932 3.901 3.980 . 0 0 "[ . 1 . 2]" 1
981 1 67 LEU HB2 1 67 LEU MD1 . . 3.560 2.237 2.154 2.392 . 0 0 "[ . 1 . 2]" 1
982 1 67 LEU HB2 1 68 ALA H . . 4.430 4.338 4.165 4.457 0.027 13 0 "[ . 1 . 2]" 1
983 1 67 LEU HB3 1 67 LEU MD1 . . 3.560 2.446 2.251 2.575 . 0 0 "[ . 1 . 2]" 1
984 1 67 LEU HB3 1 68 ALA H . . 4.790 3.415 2.995 3.956 . 0 0 "[ . 1 . 2]" 1
985 1 67 LEU MD1 1 68 ALA H . . 4.560 4.506 4.317 4.572 0.012 18 0 "[ . 1 . 2]" 1
986 1 67 LEU MD2 1 68 ALA H . . 3.880 2.083 1.895 2.226 . 0 0 "[ . 1 . 2]" 1
987 1 67 LEU MD2 1 71 ALA H . . 4.980 4.261 3.762 4.445 . 0 0 "[ . 1 . 2]" 1
988 1 67 LEU MD2 1 71 ALA MB . . 3.180 2.763 2.469 2.966 . 0 0 "[ . 1 . 2]" 1
989 1 67 LEU MD2 1 72 LEU H . . 4.970 4.831 4.421 4.973 0.003 6 0 "[ . 1 . 2]" 1
990 1 67 LEU MD2 1 72 LEU MD2 . . 3.220 2.175 1.861 2.666 . 0 0 "[ . 1 . 2]" 1
991 1 67 LEU HG 1 68 ALA H . . 4.400 3.756 3.408 4.074 . 0 0 "[ . 1 . 2]" 1
992 1 67 LEU HG 1 72 LEU MD2 . . 4.480 3.807 3.593 4.078 . 0 0 "[ . 1 . 2]" 1
993 1 68 ALA H 1 68 ALA MB . . 3.170 1.990 1.950 2.094 . 0 0 "[ . 1 . 2]" 1
994 1 68 ALA H 1 69 ALA H . . 5.050 4.516 4.441 4.607 . 0 0 "[ . 1 . 2]" 1
995 1 68 ALA H 1 71 ALA MB . . 4.460 3.260 2.945 3.712 . 0 0 "[ . 1 . 2]" 1
996 1 68 ALA HA 1 69 ALA H . . 3.130 2.193 2.187 2.218 . 0 0 "[ . 1 . 2]" 1
997 1 68 ALA HA 1 69 ALA MB . . 4.330 3.961 3.905 3.973 . 0 0 "[ . 1 . 2]" 1
998 1 68 ALA MB 1 69 ALA H . . 3.760 3.323 3.138 3.438 . 0 0 "[ . 1 . 2]" 1
999 1 68 ALA MB 1 70 GLY H . . 4.280 2.619 2.435 2.866 . 0 0 "[ . 1 . 2]" 1
1000 1 68 ALA MB 1 70 GLY HA2 . . 4.860 4.653 4.579 4.788 . 0 0 "[ . 1 . 2]" 1
1001 1 68 ALA MB 1 70 GLY HA3 . . 4.800 3.863 3.713 4.094 . 0 0 "[ . 1 . 2]" 1
1002 1 68 ALA MB 1 71 ALA H . . 3.930 3.198 2.310 3.680 . 0 0 "[ . 1 . 2]" 1
1003 1 68 ALA MB 1 71 ALA MB . . 3.560 1.904 1.719 2.262 . 0 0 "[ . 1 . 2]" 1
1004 1 69 ALA H 1 69 ALA MB . . 3.120 2.143 2.072 2.169 . 0 0 "[ . 1 . 2]" 1
1005 1 69 ALA H 1 70 GLY H . . 4.500 2.660 2.467 2.802 . 0 0 "[ . 1 . 2]" 1
1006 1 69 ALA HA 1 71 ALA H . . 4.690 3.621 3.514 3.774 . 0 0 "[ . 1 . 2]" 1
1007 1 69 ALA HA 1 72 LEU H . . 4.510 4.387 4.017 4.515 0.005 18 0 "[ . 1 . 2]" 1
1008 1 69 ALA HA 1 72 LEU HB2 . . 4.700 3.608 3.033 3.922 . 0 0 "[ . 1 . 2]" 1
1009 1 69 ALA HA 1 72 LEU MD1 . . 3.640 2.453 2.170 2.786 . 0 0 "[ . 1 . 2]" 1
1010 1 69 ALA MB 1 70 GLY H . . 4.140 2.940 2.721 3.165 . 0 0 "[ . 1 . 2]" 1
1011 1 69 ALA MB 1 70 GLY HA2 . . 4.730 4.038 3.954 4.112 . 0 0 "[ . 1 . 2]" 1
1012 1 69 ALA MB 1 70 GLY HA3 . . 4.780 4.234 4.113 4.361 . 0 0 "[ . 1 . 2]" 1
1013 1 69 ALA MB 1 72 LEU MD1 . . 4.690 3.720 3.545 3.986 . 0 0 "[ . 1 . 2]" 1
1014 1 70 GLY H 1 71 ALA H . . 4.200 2.867 2.203 3.128 . 0 0 "[ . 1 . 2]" 1
1015 1 70 GLY HA2 1 71 ALA MB . . 4.820 4.566 4.445 4.824 0.004 3 0 "[ . 1 . 2]" 1
1016 1 70 GLY HA2 1 72 LEU H . . 4.360 3.654 3.506 3.761 . 0 0 "[ . 1 . 2]" 1
1017 1 70 GLY HA3 1 72 LEU H . . 4.980 4.816 4.450 4.973 . 0 0 "[ . 1 . 2]" 1
1018 1 71 ALA H 1 71 ALA MB . . 3.040 2.576 2.278 2.720 . 0 0 "[ . 1 . 2]" 1
1019 1 71 ALA H 1 72 LEU H . . 3.390 2.028 1.899 2.482 . 0 0 "[ . 1 . 2]" 1
1020 1 71 ALA H 1 72 LEU HB2 . . 5.260 3.726 3.473 4.059 . 0 0 "[ . 1 . 2]" 1
1021 1 71 ALA H 1 72 LEU MD1 . . 4.790 3.849 3.592 4.250 . 0 0 "[ . 1 . 2]" 1
1022 1 71 ALA MB 1 72 LEU H . . 4.010 3.644 3.583 3.685 . 0 0 "[ . 1 . 2]" 1
1023 1 71 ALA MB 1 72 LEU MD2 . . 4.020 3.783 3.535 4.037 0.017 20 0 "[ . 1 . 2]" 1
1024 1 72 LEU H 1 72 LEU HB2 . . 3.550 2.653 2.454 2.753 . 0 0 "[ . 1 . 2]" 1
1025 1 72 LEU H 1 72 LEU HB3 . . 4.070 3.761 3.635 3.822 . 0 0 "[ . 1 . 2]" 1
1026 1 72 LEU H 1 72 LEU MD1 . . 4.020 3.897 3.714 4.015 . 0 0 "[ . 1 . 2]" 1
1027 1 72 LEU H 1 72 LEU MD2 . . 4.400 4.107 3.868 4.196 . 0 0 "[ . 1 . 2]" 1
1028 1 72 LEU H 1 72 LEU HG . . 3.480 3.104 2.908 3.313 . 0 0 "[ . 1 . 2]" 1
1029 1 72 LEU H 1 73 ARG H . . 4.750 4.455 4.423 4.513 . 0 0 "[ . 1 . 2]" 1
1030 1 72 LEU HB2 1 72 LEU MD1 . . 3.340 2.115 2.013 2.295 . 0 0 "[ . 1 . 2]" 1
1031 1 72 LEU HB2 1 73 ARG H . . 4.660 3.902 3.759 4.068 . 0 0 "[ . 1 . 2]" 1
1032 1 72 LEU HB3 1 72 LEU MD1 . . 3.170 2.584 2.464 2.683 . 0 0 "[ . 1 . 2]" 1
1033 1 72 LEU HB3 1 73 ARG H . . 4.050 2.777 2.615 2.940 . 0 0 "[ . 1 . 2]" 1
1034 1 72 LEU MD1 1 73 ARG H . . 5.130 4.866 4.706 5.020 . 0 0 "[ . 1 . 2]" 1
1035 1 72 LEU MD2 1 73 ARG H . . 3.960 3.459 3.037 3.672 . 0 0 "[ . 1 . 2]" 1
1036 1 73 ARG H 1 73 ARG HB2 . . 4.030 3.868 3.827 3.901 . 0 0 "[ . 1 . 2]" 1
1037 1 73 ARG H 1 73 ARG HG2 . . 4.220 3.362 3.205 3.446 . 0 0 "[ . 1 . 2]" 1
1038 1 73 ARG H 1 73 ARG HG3 . . 3.940 2.153 2.056 2.307 . 0 0 "[ . 1 . 2]" 1
1039 1 73 ARG H 1 74 GLU H . . 5.000 4.415 4.404 4.431 . 0 0 "[ . 1 . 2]" 1
1040 1 73 ARG HB2 1 73 ARG HD2 . . 3.450 2.936 2.889 3.003 . 0 0 "[ . 1 . 2]" 1
1041 1 73 ARG HB2 1 74 GLU H . . 4.290 2.297 2.273 2.359 . 0 0 "[ . 1 . 2]" 1
1042 1 73 ARG HB2 1 74 GLU HA . . 4.880 4.646 4.620 4.711 . 0 0 "[ . 1 . 2]" 1
1043 1 73 ARG HB3 1 73 ARG HD3 . . 3.770 3.219 3.128 3.265 . 0 0 "[ . 1 . 2]" 1
1044 1 73 ARG HB3 1 74 GLU H . . 4.130 3.723 3.696 3.786 . 0 0 "[ . 1 . 2]" 1
1045 1 73 ARG HD2 1 74 GLU HB3 . . 4.890 4.899 4.890 4.916 0.026 17 0 "[ . 1 . 2]" 1
1046 1 73 ARG HD3 1 73 ARG HG3 . . 2.940 3.007 2.977 3.018 0.078 14 0 "[ . 1 . 2]" 1
1047 1 73 ARG HG2 1 74 GLU H . . 4.760 4.768 4.737 4.780 0.020 14 0 "[ . 1 . 2]" 1
1048 1 73 ARG HG3 1 74 GLU HA . . 4.750 4.661 4.369 4.757 0.007 6 0 "[ . 1 . 2]" 1
1049 1 74 GLU H 1 74 GLU HB2 . . 3.680 2.384 2.332 2.448 . 0 0 "[ . 1 . 2]" 1
1050 1 74 GLU H 1 74 GLU HB3 . . 3.780 2.792 2.717 2.848 . 0 0 "[ . 1 . 2]" 1
1051 1 74 GLU H 1 74 GLU HG2 . . 4.820 4.441 4.420 4.492 . 0 0 "[ . 1 . 2]" 1
1052 1 74 GLU H 1 74 GLU HG3 . . 4.750 4.362 4.281 4.455 . 0 0 "[ . 1 . 2]" 1
1053 1 74 GLU H 1 75 ARG H . . 5.310 4.362 4.314 4.435 . 0 0 "[ . 1 . 2]" 1
1054 1 74 GLU HA 1 74 GLU HG3 . . 4.030 2.729 2.551 2.850 . 0 0 "[ . 1 . 2]" 1
1055 1 74 GLU HA 1 75 ARG H . . 3.240 2.209 2.202 2.218 . 0 0 "[ . 1 . 2]" 1
1056 1 74 GLU HA 1 75 ARG HB2 . . 5.500 4.504 4.367 4.688 . 0 0 "[ . 1 . 2]" 1
1057 1 74 GLU HA 1 75 ARG HB3 . . 4.620 4.683 4.508 4.852 0.232 14 0 "[ . 1 . 2]" 1
1058 1 74 GLU HB3 1 75 ARG H . . 4.450 4.242 4.143 4.323 . 0 0 "[ . 1 . 2]" 1
1059 1 74 GLU HG2 1 75 ARG H . . 4.270 3.163 2.985 3.302 . 0 0 "[ . 1 . 2]" 1
1060 1 74 GLU HG3 1 75 ARG H . . 4.700 4.365 4.170 4.546 . 0 0 "[ . 1 . 2]" 1
1061 1 75 ARG H 1 75 ARG HB2 . . 3.800 2.320 2.193 2.527 . 0 0 "[ . 1 . 2]" 1
1062 1 75 ARG H 1 75 ARG HB3 . . 3.830 2.695 2.437 2.898 . 0 0 "[ . 1 . 2]" 1
1063 1 75 ARG H 1 75 ARG HG2 . . 4.620 4.482 4.411 4.547 . 0 0 "[ . 1 . 2]" 1
1064 1 75 ARG HA 1 75 ARG HD2 . . 4.880 4.421 4.181 4.565 . 0 0 "[ . 1 . 2]" 1
1065 1 75 ARG HA 1 75 ARG HG2 . . 3.410 2.999 2.848 3.383 . 0 0 "[ . 1 . 2]" 1
1066 1 75 ARG HA 1 75 ARG HG3 . . 3.940 2.542 2.352 2.660 . 0 0 "[ . 1 . 2]" 1
1067 1 75 ARG HB2 1 75 ARG HD2 . . 3.780 2.637 2.382 2.757 . 0 0 "[ . 1 . 2]" 1
1068 1 75 ARG HB2 1 75 ARG HD3 . . 3.550 3.010 2.786 3.144 . 0 0 "[ . 1 . 2]" 1
1069 1 75 ARG HB3 1 75 ARG HD2 . . 3.640 3.142 3.015 3.349 . 0 0 "[ . 1 . 2]" 1
1070 1 75 ARG HB3 1 75 ARG HD3 . . 3.770 2.438 2.330 2.698 . 0 0 "[ . 1 . 2]" 1
1071 1 77 GLY HA2 1 78 PRO QD . . 3.120 2.213 1.931 2.563 . 0 0 "[ . 1 . 2]" 1
1072 1 77 GLY HA2 1 78 PRO QG . . 4.800 4.172 3.925 4.476 . 0 0 "[ . 1 . 2]" 1
1073 1 77 GLY HA3 1 78 PRO QD . . 2.840 2.348 2.054 2.665 . 0 0 "[ . 1 . 2]" 1
1074 1 77 GLY HA3 1 78 PRO QG . . 4.760 4.291 4.003 4.592 . 0 0 "[ . 1 . 2]" 1
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